@article{UBHD-68904232,
  author={Abdellaoui, Chahinez and Hermanns, Volker and Reinfelds, Matīss and Scheurer, Maximilian and Dreuw, Andreas and Heckel, Alexander and Wachtveitl, Josef},
  title={A long-lived fluorenyl cation},
  subtitle={efficiency booster for uncaging and photobase properties},
  year={2022},
  pages={5294-5300},
  language={eng},
  issn={1463-9084},
  volume={24},
  number={9},
  note={Gesehen am 06.04.2022},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/D1CP05292F},
}
@article{UBHD-68656835,
  author={Adak, Tapas and Hoffmann, Marvin and Witzel, Sina and Rudolph, Matthias and Dreuw, Andreas and Hashmi, A. Stephen K.},
  title={Visible light-enabled sp3-C-H functionalization with chloro- and bromoalkynes},
  subtitle={chemoselective route to vinylchlorides or alkynes},
  year={2020},
  pages={15573-15580},
  language={eng},
  issn={1521-3765},
  volume={26},
  number={67},
  note={Im Titel erscheint die Ziffer 3 hochgestellt ; Gesehen am 03.11.2020},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202001259},
  url={https://doi.org/10.1002/chem.202001259},
  library={UB},
}
@article{UBHD-68575773,
  author={Ahrens, Alexander and Schwarz, Julia and Lustosa, Danilo Machado and Pourkaveh, Raheleh and Hoffmann, Marvin and Rominger, Frank and Rudolph, Matthias and Dreuw, Andreas and Hashmi, A. Stephen K.},
  title={Synthesis of fulvene vinyl ethers by gold catalysis},
  year={2020},
  pages={5280-5287},
  language={eng},
  issn={1521-3765},
  volume={26},
  number={23},
  note={Gesehen am 12.05.2020},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202000338},
  url={https://doi.org/10.1002/chem.202000338},
  library={UB},
}
@article{UBHD-68895277,
  author={Ahrens, Lukas and Wollscheid, Nikolaus and Han, Jie and Kefer, Oskar and Rominger, Frank and Roozbeh, Ashkan and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F. and Buckup, Tiago},
  title={Structure set in stone},
  subtitle={designing rigid linkers to control the efficiency of intramolecular singlet fission},
  year={2021},
  pages={13235-13245},
  language={eng},
  issn={1520-5207},
  volume={125},
  number={48},
  note={Gesehen am 16.03.2022},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcb.1c07122},
}
@article{UBHD-68630917,
  author={Ajdari, Mohsen and Schmitt, Tanja and Hoffmann, Marvin and Maaß, Friedrich and Reiß, Hilmar and Bunz, Uwe H. F. and Dreuw, Andreas and Tegeder, Petra},
  title={Electronic properties of 6,13-diazapentacene adsorbed on Au(111)},
  subtitle={a quantitative determination of transport, singlet and triplet states, and electronic spectra},
  year={2020},
  pages={13196-13205},
  language={eng},
  issn={1932-7455},
  volume={124},
  number={24},
  note={Gesehen am 25.08.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.0c02672},
}
@article{UBHD-69289730,
  author={Ajdari, Mohsen and Pappenberger, Ronja and Walla, Christian and Michalsky, Ina and Maaß, Friedrich and Kivala, Milan and Dreuw, Andreas and Tegeder, Petra},
  title={Electronic properties of interfaces between N-Heterotriangulene donors and strong tetracyanoquinodimethane acceptors},
  year={2024},
  pages={14399-14406},
  language={eng},
  issn={1932-7455},
  volume={128},
  number={34 vom: Aug.},
  note={Gesehen am 13.01.2025},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.4c02405},
}
@article{UBHD-69225755,
  author={Ajdari, Mohsen and Pappenberger, Ronja and Walla, Christian and Hoffmann, Marvin and Michalsky, Ina and Kivala, Milan and Dreuw, Andreas and Tegeder, Petra},
  title={Impact of connectivity on the electronic structure of N-heterotriangulenes},
  year={2023},
  pages={542-549},
  language={eng},
  issn={1932-7455},
  volume={127},
  number={1},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.2c05737},
}
@book{UBHD-69225727,
  author={Ajdari, Mohsen and Pappenberger, Ronja and Walla, Christian and Hoffmann, Marvin and Michalsky, Ina and Kivala, Milan and Dreuw, Andreas and Tegeder, Petra},
  title={Impact of connectivity on the electronic structure of N-heterotriangulenes [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2024},
  pages={1 Online-Ressource (15 Files)},
  language={eng},
  note={Gef{\"o}rdert durch: Deutsche Forschungsgemeinschaft: SFB 1249: N-heteropolycycles as functional materials: 281029004-SFB 1249, Projects A05, B01, and B06 ; Gesehen am 24.06.2024},
  doi={10.11588/data/CG6QFT},
  url={https://doi.org/10.11588/data/CG6QFT},
  library={UB},
}
@article{UBHD-68734153,
  author={Ajdari, Mohsen and Landwehr, Felix and Hoffmann, Marvin and Hoffmann, Hendrik and Bunz, Uwe H. F. and Dreuw, Andreas and Tegeder, Petra},
  title={Influence of core halogenation on the electronic structure of naphthothiadiazole derivatives},
  year={2021},
  pages={6359-6366},
  language={eng},
  issn={1932-7455},
  volume={125},
  number={11},
  note={Gesehen am 05.05.2021},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.0c11422},
}
@book{UBHD-69225765,
  author={Ajdari, Mohsen and Landwehr, Felix and Hoffmann, Marvin and Hoffmann, Hendrik and Bunz, Uwe H. F. and Dreuw, Andreas and Tegeder, Petra},
  title={Influence of core halogenation on the electronic structure of naphthothiadiazole derivatives [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2024},
  pages={1 Online-Ressource (17 Files)},
  language={eng},
  note={Gef{\"o}rdert durch: Deutsche Forschungsgemeinschaft: SFB 1249: N-heteropolycycles as functional materials: 281029004-SFB 1249, Projects A05, B01, and B06 ; Gesehen am 24.06.2024},
  doi={10.11588/data/BKMRYG},
  url={https://doi.org/10.11588/data/BKMRYG},
  library={UB},
}
@article{UBHD-69232712,
  author={Ajdari, Mohsen and Pappenberger, Ronja and Annweiler, Caja and Kaczun, Tobias and M{\"u}ller, Leon and Winkelmann, Larissa and Ahrens, Lukas and Bunz, Uwe H. F. and Dreuw, Andreas and Tegeder, Petra},
  title={Influence of core substitution on the electronic structure of benzobisthiadiazoles},
  year={2024},
  pages={4060-4069},
  language={eng},
  issn={1932-7455},
  volume={128},
  number={9 vom: M{\"a}rz},
  note={Online ver{\"o}ffentlicht: 28. Februar 2024 ; Gesehen am 11.07.2024},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.3c08253},
}
@article{UBHD-68579681,
  author={Ajdari, Mohsen and Stein, Arnulf and Hoffmann, Marvin and M{\"u}ller, Matthias and Bunz, Uwe H. F. and Dreuw, Andreas and Tegeder, Petra},
  title={Lightening up a dark state of a Pentacene derivative via N-introduction},
  year={2020},
  pages={7196-7204},
  language={eng},
  issn={1932-7455},
  volume={124},
  number={13},
  note={Gesehen am 20.05.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.9b11405},
}
@article{UBHD-68494147,
  author={Alagna, Nicolò and Pérez Lustres, José Luis and Wollscheid, Nikolaus and Luo, Qingqing and Han, Jie and Dreuw, Andreas and Geyer, Florian Ludwig and Brosius, Victor and Bunz, Uwe H. F. and Buckup, Tiago and Motzkus, Marcus},
  title={Singlet fission in tetraaza-TIPS-pentacene oligomers},
  subtitle={from fs excitation to μs triplet decay via the biexcitonic state},
  year={2019},
  pages={10780-10793},
  language={eng},
  issn={1520-5207},
  volume={123},
  number={50},
  note={Gesehen am 27.02.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcb.9b08031},
}
@article{UBHD-68477675,
  author={Alagna, Nicolò and Han, Jie and Wollscheid, Nikolaus and Pérez Lustres, José Luis and Herz, Julia and Hahn, Sebastian and Koser, Silke and Paulus, Fabian and Bunz, Uwe H. F. and Dreuw, Andreas and Buckup, Tiago and Motzkus, Marcus},
  title={Tailoring ultrafast singlet fission by the chemical modification of phenazinothiadiazoles},
  year={2019},
  pages={8834-8845},
  language={eng},
  issn={1520-5126},
  volume={141},
  number={22},
  note={Gesehen am 17.01.2020},
  journal={Journal of the American Chemical Society},
  doi={10.1021/jacs.9b01079},
}
@article{UBHD-68661673,
  author={Alagna, Nicolò and Pérez Lustres, José Luis and Roozbeh, Ashkan and Han, Jie and Hahn, Sebastian and Berger, Felix J. and Zaumseil, Jana and Dreuw, Andreas and Bunz, Uwe H. F. and Buckup, Tiago},
  title={Ultrafast singlet fission in rigid azaarene dimers with negligible orbital overlap},
  year={2020},
  pages={9163-9174},
  language={eng},
  issn={1520-5207},
  volume={124},
  number={41},
  note={Gesehen am 17.11.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcb.0c07096},
}
@article{UBHD-68884876,
  author={Ambroise, Maximilien and Dreuw, Andreas and Jensen, Frank},
  title={Probing basis set requirements for calculating core ionization and core excitation spectra using correlated wave function methods},
  year={2021},
  pages={2832-2842},
  language={eng},
  issn={1549-9626},
  volume={17},
  number={5},
  note={Gesehen am 03.03.2022},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.1c00042},
}
@article{UBHD-69076884,
  author={Ambroise, Maximilien and Sacchetta, Filippo and Graf, Daniel and Ochsenfeld, C. and Dreuw, Andreas},
  title={Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort},
  subtitle={theory and implementation},
  year={2023},
  pages={1-16},
  language={eng},
  issn={1089-7690},
  volume={158},
  note={Gesehen am 17.05.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0139894},
}
@article{UBHD-68498565,
  author={Bartel, Yvonne and Dreuw, Andreas},
  title={A red-shifted two-photon-only caging group for three-dimensional photorelease},
  year={2018},
  pages={2797-2802},
  language={eng},
  issn={2041-6539},
  volume={9},
  number={10},
  note={Gesehen am 10.03.2020},
  journal={Chemical science},
  doi={10.1039/C7SC05182D},
}
@article{UBHD-68930190,
  author={Bauer, Marco and Dempwolff, Adrian and Rehn, Dirk R. and Dreuw, Andreas},
  title={Exploring the accuracy and usefulness of semi-empirically scaled ADC schemes by blending second and third order terms},
  year={2022},
  pages={1-13},
  language={eng},
  issn={1089-7690},
  volume={156},
  note={Gesehen am 13.06.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0087173},
}
@article{UBHD-69076289,
  author={Bauer, Marco and Dreuw, Andreas},
  title={Perturbation theoretical approaches to strong light-matter coupling in ground and excited electronic states for the description of molecular polaritons},
  year={2023},
  pages={1-13},
  language={eng},
  issn={1089-7690},
  volume={158},
  note={Gesehen am 16.05.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0142403},
}
@article{UBHD-68199205,
  author={Baumg{\"a}rtner, Kevin and Dreuw, Andreas and Rominger, Frank and Mastalerz, Michael},
  title={A conformationally stable contorted hexabenzoovalene},
  year={2016},
  pages={15823-15827},
  language={eng},
  issn={1521-3757},
  volume={128},
  number={50},
  note={Gesehen am 07.12.2017},
  journal={Angewandte Chemie},
  doi={10.1002/ange.201607740},
}
@article{UBHD-68877327,
  author={Baumg{\"a}rtner, Kevin and Hoffmann, Marvin and Rominger, Frank and Elbert, Sven and Dreuw, Andreas and Mastalerz, Michael},
  title={Homoconjugation and intramolecular charge transfer in extended aromatic triptycenes with different π-planes},
  year={2020},
  pages={15256-15272},
  language={eng},
  issn={1520-6904},
  volume={85},
  number={23},
  note={Gesehen am 13.02.2022},
  journal={The journal of organic chemistry},
  doi={10.1021/acs.joc.0c02100},
}
@article{UBHD-68303815,
  author={Baumg{\"a}rtner, Kevin and Kirschbaum, Tobias and Krutzek, Fabian and Dreuw, Andreas and Rominger, Frank and Mastalerz, Michael},
  title={K-Region-Extended [c]-Heteroannulated Pyrenes},
  year={2017},
  pages={17817-17822},
  language={eng},
  issn={1521-3765},
  volume={23},
  number={70},
  note={Gesehen am 11.09.2018},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201703988},
}
@article{UBHD-69186810,
  author={Bergner, John and Borstelmann, Jan and Cavinato, Luca M. and Fuenzalida Werner, Juan Pablo and Walla, Christian and Hinrichs, Heike and Schulze, Philipp and Rominger, Frank and Costa, Rubén D. and Dreuw, Andreas and Kivala, Milan},
  title={A conformationally stable π-expanded X-type double helicene comprising dihydropyracylene units with multistage redox behavior},
  year={2024},
  pages={1-6},
  language={eng},
  issn={1521-3765},
  volume={30},
  note={Gesehen am 28.02.2024},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202303336},
}
@article{UBHD-68760755,
  author={Bettens, Tom and Eeckhoudt, Jochen and Hoffmann, Marvin and Alonso, Mercedes and Geerlings, Paul and Dreuw, Andreas and De Proft, Frank},
  title={Designing force probes based on reversible 6π-electrocyclizations in polyenes using quantum chemical calculations},
  year={2021},
  pages={7477-7489},
  language={eng},
  issn={1520-6904},
  volume={86},
  number={11},
  note={Gesehen am 16.07.2021},
  journal={The journal of organic chemistry},
  doi={10.1021/acs.joc.1c00482},
}
@article{UBHD-68719727,
  author={Bettens, Tom and Hoffmann, Marvin and Alonso, Mercedes and Geerlings, Paul and Dreuw, Andreas and Proft, Frank De},
  title={Mechanochemically triggered topology changes in expanded porphyrins},
  year={2021},
  pages={3397-3406},
  language={eng},
  issn={1521-3765},
  volume={27},
  number={10},
  note={First published: 10 November 2020, Version of record online: January 18, 2021 ; Gesehen am 10.09.2021},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202003869},
  url={https://doi.org/https://doi.org/10.1002/chem.202003869},
  library={UB},
}
@article{UBHD-68195727,
  author={Bohnwagner, Mercedes V. and Dreuw, Andreas},
  title={Regular and red-shifted fluorescence of the donor-acceptor compound 5-(1H-pyrrole-1-yl)thiophenecarbonitrile (TCN) is efficiently quenched by internal modes of thiophene},
  year={2017},
  pages={13951-13959},
  language={eng},
  issn={1463-9084},
  volume={19},
  number={21},
  note={Gesehen am 29.11.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C7CP01460K},
}
@article{UBHD-68195735,
  author={Bohnwagner, Mercedes V. and Dreuw, Andreas},
  title={Regular fluorescence of 4-Fluoro-N,N-dimethylaniline},
  subtitle={no charge transfer and no twisting},
  year={2017},
  pages={5834-5841},
  language={eng},
  issn={1520-5215},
  volume={121},
  number={31},
  note={Gesehen am 29.11.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.7b05939},
}
@article{UBHD-68200209,
  author={Bohnwagner, Mercedes V. and Burghardt, Irene and Dreuw, Andreas},
  title={Solvent polarity tunes the barrier height for twisted intramolecular charge transfer in N-pyrrolobenzonitrile (PBN)},
  year={2016},
  pages={14-27},
  language={eng},
  issn={1520-5215},
  volume={120},
  number={1},
  note={Gesehen am 08.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.5b09115},
}
@article{UBHD-69195814,
  author={Brand, Manuel and Dreuw, Andreas and Norman, Patrick and Li, Xin},
  title={Efficient and parallel implementation of real and complex response functions employing the second-order algebraic-diagrammatic construction scheme for the polarization propagator},
  year={2024},
  pages={103-113},
  language={eng},
  issn={1549-9626},
  volume={20},
  number={1},
  note={Published December 20, 2023 ; Gesehen am 27.03.2024},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.3c01065},
}
@article{UBHD-68199236,
  author={Brisker-Klaiman, Daria and Dreuw, Andreas},
  title={Explaining level inversion of the La and Lb states of indole and indole derivatives in polar solvents},
  year={2015},
  pages={1695-1702},
  language={eng},
  issn={1439-7641},
  volume={16},
  number={8},
  note={Gesehen am 07.12.2017},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201500073},
}
@article{UBHD-68796234,
  author={Brumboiu, Iulia Emilia and Rehn, Dirk R. and Dreuw, Andreas and Rhee, Young Min and Norman, Patrick},
  title={Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework},
  year={2021},
  pages={1-16},
  language={eng},
  issn={1089-7690},
  volume={155},
  note={Gesehen am 03.11.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0058221},
}
@article{UBHD-68716254,
  author={Butscher, Julian and Sun, Qing and Wu, Yufeng and Stuck, Fabian and Hoffmann, Marvin and Dreuw, Andreas and Paulus, Fabian and Hashmi, A. Stephen K. and Tessler, Nir and Vaynzof, Yana},
  title={Dipolar hole-blocking layers for inverted perovskite solar cells},
  subtitle={effects of aggregation and electron transport levels},
  year={2020},
  pages={1-8},
  language={eng},
  issn={2515-7639},
  volume={3},
  note={Gesehen am 24.03.2021},
  journal={JPhys materials},
  doi={10.1088/2515-7639/ab703b},
}
@article{UBHD-67693518,
  author={Cauteruccio, Silvia and Blanco Jaimes, Maria Camila and Rominger, Frank and Prager, Stefan and Dreuw, Andreas and Hashmi, A. Stephen K.},
  title={Gold(I) complexes of tetrathiaheterohelicene phosphanes},
  year={2013},
  pages={7995-8004},
  language={eng},
  issn={0020-1669},
  volume={52},
  number={14},
  journal={Inorganic chemistry},
}
@article{UBHD-68202957,
  author={Cauteruccio, Silvia and Blanco Jaimes, Maria Camila and Rominger, Frank and Prager, Stefan and Dreuw, Andreas and Hashmi, A. Stephen K.},
  title={Gold(I) complexes of tetrathiaheterohelicene phosphanes},
  year={2013},
  pages={7995-8004},
  language={eng},
  issn={1520-510X},
  volume={52},
  number={14},
  note={Gesehen am 18.12.2017},
  journal={Inorganic chemistry},
  doi={10.1021/ic4005533},
}
@article{UBHD-68934090,
  author={Craciunescu, Luca and Wirsing, Sara and Hammer, Sebastian and Broch, Katharina and Dreuw, Andreas and Fantuzzi, Felipe and Sivanesan, Vipilan and Tegeder, Petra and Engels, Bernd},
  title={Accurate polarization-resolved absorption spectra of organic semiconductor thin films using first-principles quantum-chemical methods},
  subtitle={Pentacene as a case study},
  year={2022},
  pages={3726-3731},
  language={eng},
  issn={1948-7185},
  volume={13},
  number={16},
  note={Gesehen am 23.06.2022},
  journal={The journal of physical chemistry letters},
  doi={10.1021/acs.jpclett.2c00573},
}
@article{UBHD-69264359,
  author={Craciunescu, Luca and Asbach, Maximilian and Wirsing, Sara and Hammer, Sebastian and Unger, Frederik and Broch, Katharina and Schreiber, Frank and Witte, Gregor and Dreuw, Andreas and Tegeder, Petra and Fantuzzi, Felipe and Engels, Bernd},
  title={Cluster-based approach utilizing optimally tuned TD-DFT to calculate absorption spectra of organic semiconductor thin films},
  year={2023},
  pages={9369-9387},
  language={eng},
  issn={1549-9626},
  volume={19},
  number={24},
  note={Gesehen am 22.10.2024},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.3c01107},
}
@article{UBHD-68786052,
  author={Dempwolff, Adrian and Belogolova, Alexandra M. and Sommerfeld, Thomas and Trofimov, Alexander B. and Dreuw, Andreas},
  title={CAP/EA-ADC method for metastable anions},
  subtitle={computational aspects and application to π* resonances of norbornadiene and 1,4-cyclohexadiene},
  year={2021},
  pages={1-13},
  language={eng},
  issn={1089-7690},
  volume={155},
  note={Gesehen am 04.10.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0057737},
}
@article{UBHD-68413899,
  author={Dempwolff, Adrian and Schneider, Matthias and Hodecker, Manuel and Dreuw, Andreas},
  title={Efficient implementation of the non-Dyson third-order algebraic diagrammatic construction approximation for the electron propagator for closed- and open-shell molecules},
  year={2019},
  pages={10 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 30.07.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5081674},
}
@article{UBHD-68563910,
  author={Dempwolff, Adrian and Paul, Alexander C. and Belogolova, Alexandra M. and Trofimov, Alexander B. and Dreuw, Andreas},
  title={Intermediate state representation approach to physical properties of molecular electron-detached states - I. Theory and implementation},
  year={2020},
  pages={1-16},
  language={eng},
  issn={1089-7690},
  volume={152(2020},
  number={2) Artikel-Nummer 024113},
  note={Gesehen am 14.04.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.5137792},
}
@article{UBHD-68728148,
  author={Dempwolff, Adrian and Belogolova, Alexandra M. and Trofimov, Alexander B. and Dreuw, Andreas},
  title={Intermediate state representation approach to physical properties of molecular electron-attached states},
  subtitle={theory, implementation, and benchmarking},
  year={2021},
  pages={1-17},
  language={eng},
  issn={1089-7690},
  volume={154},
  note={Gesehen am 26.04.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0043337},
}
@article{UBHD-68563948,
  author={Dempwolff, Adrian and Paul, Alexander C. and Belogolova, Alexandra M. and Trofimov, Alexander B. and Dreuw, Andreas},
  title={Intermediate state representation approach to physical properties of molecular electron-detached states - II. Benchmarking},
  year={2020},
  pages={1-12},
  language={eng},
  issn={1089-7690},
  volume={152(2020},
  number={2) Artikel-Nummer 024125},
  note={Gesehen am 14.04.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.5137794},
}
@article{UBHD-68895353,
  author={Dempwolff, Adrian and Hodecker, Manuel and Dreuw, Andreas},
  title={Vertical ionization potential benchmark for unitary coupled-cluster and algebraic-diagrammatic construction methods},
  year={2022},
  pages={1-8},
  language={eng},
  issn={1089-7690},
  volume={156},
  note={Gesehen am 17.03.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0079047},
}
@article{UBHD-69211276,
  author={Dittmer, Linus Bjarne and Dreuw, Andreas},
  title={The Markovian Multiagent Monte-Carlo method as a differential evolution approach to the SCF problem for restricted and unrestricted Hartree-Fock and Kohn-Sham-DFT},
  year={2023},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={159},
  note={Gesehen am 06.05.2024},
  journal={The journal of chemical physics},
  doi={10.1063/5.0159737},
}
@article{UBHD-68199927,
  author={Dova, Davide and Prager, Stefan and Dreuw, Andreas},
  title={Chiral thiahelicene-based alkyl phosphine-borane complexes},
  subtitle={synthesis, x-ray characterization, and theoretical and experimental investigations of optical properties},
  year={2015},
  pages={3921-3928},
  language={eng},
  issn={1520-6904},
  volume={80},
  number={8},
  note={Gesehen am 11.12.2017},
  journal={The journal of organic chemistry},
  doi={10.1021/acs.joc.5b00243},
}
@article{UBHD-68398669,
  author={Dova, Davide and Prager, Stefan and Dreuw, Andreas},
  title={Helical push-pull systems for solar cells},
  subtitle={electrochemical, computational, photovoltaic and NMR data},
  year={2018},
  pages={2339-2349},
  language={eng},
  issn={2352-3409},
  volume={21},
  note={Gesehen am 13.06.2019},
  journal={Data in Brief},
  doi={10.1016/j.dib.2018.11.074},
}
@article{UBHD-68198756,
  author={Dova, Davide and Prager, Stefan and Dreuw, Andreas},
  title={Tetrathia[7]helicene phosphorus derivatives},
  subtitle={experimental and theoretical investigations of electronic properties, and preliminary applications as organocatalysts},
  year={2016},
  pages={537-549},
  language={eng},
  issn={2193-5815},
  volume={5},
  number={4},
  note={Gesehen am 06.12.2017},
  journal={Asian journal of organic chemistry},
  doi={10.1002/ajoc.201600025},
}
@article{UBHD-68360526,
  author={Dova, Davide and Dreuw, Andreas},
  title={An unconventional helical push-pull system for solar cells},
  year={2019},
  pages={382-388},
  language={eng},
  issn={0143-7208},
  volume={161},
  note={Available online 26 September 2018 ; Gesehen am 20.02.2019},
  journal={Dyes and pigments},
  doi={10.1016/j.dyepig.2018.09.050},
}
@article{UBHD-69042753,
  author={Dreuw, Andreas and Pl{\"o}tner, J{\"u}rgen and Wormit, Michael and Head-Gordon, Martin and Dutoi, Anthony Dean},
  title={An additive long-range potential to correct for the charge-transfer failure of time-dependent density functional theory},
  year={2010},
  pages={311-324},
  language={eng},
  issn={2196-7156},
  volume={224},
  number={3/4},
  note={Gesehen am 16.02.2023},
  journal={Zeitschrift f{\"u}r physikalische Chemie},
  doi={10.1524/zpch.2010.6107},
}
@article{UBHD-69124233,
  author={Dreuw, Andreas and Papapostolou, Antonia and Dempwolff, Adrian},
  title={Algebraic diagrammatic construction schemes employing the intermediate state formalism},
  subtitle={theory, capabilities, and interpretation},
  year={2023},
  pages={6635-6646},
  language={eng},
  issn={1520-5215},
  volume={127},
  number={32 vom: Aug.},
  note={Online ver{\"o}ffentlicht: 27. Juli 2023 ; Gesehen am 25.09.2023},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.3c02761},
}
@article{UBHD-68200215,
  author={Dreuw, Andreas and Wormit, Michael},
  title={The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states},
  year={2015},
  pages={82-95},
  language={eng},
  issn={1759-0884},
  volume={5},
  number={1},
  note={Published online: Sep 26 2014 ; Gesehen am 08.12.2017},
  journal={Wiley interdisciplinary reviews},
  doi={10.1002/wcms.1206},
}
@article{UBHD-68201845,
  author={Dreuw, Andreas and Beran, Gregory J. O. and Neugebauer, Johannes},
  title={Calculation of complex bio- and organic systems},
  subtitle={from ground-state reactivity and spectroscopy to excited-state dynamics},
  year={2014},
  pages={3139-3140},
  language={eng},
  issn={1439-7641},
  volume={15},
  number={15},
  note={Gesehen am 14.12.2017},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201402644},
}
@article{UBHD-68202930,
  author={Dreuw, Andreas},
  title={Computational design of improved two-photon active caging compounds based on nitrodibenzofuran},
  year={2012},
  pages={1797-1805},
  language={eng},
  issn={1096-987X},
  volume={33},
  number={22},
  note={Gesehen am 18.12.2017},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.23007},
}
@article{UBHD-68194668,
  author={Dreuw, Andreas and K{\"o}ppel, Horst},
  title={Electrons and nuclei in motion},
  subtitle={correlation and dynamics in molecules},
  year={2017},
  pages={1-2},
  language={eng},
  volume={482},
  note={Online verf{\"u}gbar seit 14.11.2016, gesehen am 27.11.2017},
  journal={Chemical physics},
  doi={10.1016/j.chemphys.2016.10.011},
}
@article{UBHD-68407593,
  author={Dreuw, Andreas},
  title={Fundamentales Verst{\"a}ndnis},
  subtitle={Computerchemie statt „Trial and Error“},
  year={2019},
  pages={110-117},
  language={ger and eng},
  issn={0035-998X},
  volume={14},
  note={Gesehen am 11.07.2019},
  journal={Ruperto Carola},
  editor={Pfeiffer, Thomas},
  doi={10.17885/heiup.ruca.2019.14.23980},
  url={http://doi.org/10.17885/heiup.ruca.2019.14.23980},
  library={UB},
}
@article{UBHD-69204694,
  author={Dreuw, Andreas and Tegeder, Petra},
  title={Influence of N-introduction on the electronic structure and properties of polyacenes},
  subtitle={experiment and quantum chemistry in concert},
  year={2023},
  pages={17079-17091},
  language={eng},
  issn={1463-9084},
  volume={25},
  number={26},
  note={Gesehen am 16.04.2024},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/D3CP01916K},
}
@book{UBHD-69204693,
  author={Dreuw, Andreas and Tegeder, Petra},
  title={Influence of N-introduction on the electronic structure and properties of polyacenes},
  subtitle={experiment and quantum chemistry in concert [research data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2024},
  pages={1 Online-Ressource (2 Files)},
  language={eng},
  note={Gef{\"o}rdert durch: Deutsche Forschungsgemeinschaft: 281029004 (SFB 1249, Projects B01 and B06) ; Gesehen am 16.04.2024},
  doi={10.11588/data/FEQZX9},
  url={https://doi.org/10.11588/data/FEQZX9},
  library={UB},
}
@article{UBHD-69124211,
  author={Dreuw, Andreas and Hoffmann, Marvin},
  title={The inverted singlet-triplet gap},
  subtitle={a vanishing myth?},
  year={2023},
  pages={1-8},
  language={eng},
  issn={2296-2646},
  volume={11},
  number={Artikel-ID 1239604},
  note={Ver{\"o}ffentlicht: 27. Juli 2023 ; Gesehen am 25.09.2023},
  journal={Frontiers in Chemistry},
  doi={10.3389/fchem.2023.1239604},
  url={https://dx.doi.org/10.3389/fchem.2023.1239604},
  library={UB},
}
@article{UBHD-69006775,
  author={Dreuw, Andreas},
  title={K{\"u}nstliche Intelligenz: zwischen Wunderglaube und Wissenschaft},
  subtitle={"Der digitale Chemiker"},
  year={2022},
  pages={89-93},
  language={ger},
  issn={2196-2839},
  volume={22},
  number={2},
  journal={Forum Marsilius-Kolleg},
  doi={10.11588/fmk.2022.2.92713},
  url={https://doi.org/10.11588/fmk.2022.2.92713},
  library={UB},
}
@article{UBHD-68201851,
  author={Dreuw, Andreas and Faraji, Shirin},
  title={A quantum chemical perspective on (6-4) photolesion repair by photolyases},
  year={2013},
  pages={19957-19969},
  language={eng},
  issn={1463-9084},
  volume={15},
  number={46},
  note={Gesehen am 14.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C3CP53313A},
}
@book{UBHD-65278483,
  author={Dreuw, Andreas},
  title={Ungew{\"o}hnliche durch Elektrostatik und Spin stabilisierte anionische Systeme},
  year={2001},
  pages={175 S.},
  language={ger},
  school={Heidelberg, Univ., Diss., 2001},
  library={UB [Signatur: 2001 U 309]},
}
@article{UBHD-69320225,
  author={Elter, Maximilian and Brosz, Matthias and Sucerquia, Daniel and Kuzhelev, Andrei and Kiesewetter, Denis and Kurth, Markus and Dreuw, Andreas and Prisner, Thomas F. and Freudenberg, Jan and Bunz, Uwe H. F. and Gr{\"a}ter, Frauke},
  title={Breaking strong alkynyl-phenyl bonds},
  subtitle={poly(para-phenylene ethynylene)s under mechanical stress},
  year={2024},
  pages={27594-27599},
  language={eng},
  issn={1520-5126},
  volume={146},
  number={40},
  note={Online ver{\"o}ffentlicht: 27. September 2024 ; Gesehen am 19.03.2025},
  journal={Journal of the American Chemical Society},
  doi={10.1021/jacs.4c08765},
}
@article{UBHD-68202927,
  author={Epifanovsky, Evgeny and Wormit, Michael and Dreuw, Andreas},
  title={New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations},
  year={2013},
  pages={2293-2309},
  language={eng},
  issn={1096-987X},
  volume={34},
  number={26},
  note={Gesehen am 18.12.2017},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.23377},
}
@article{UBHD-68803376,
  author={Epifanovsky, Evgeny and Dempwolff, Adrian and Plasser, Felix and Rehn, Dirk R. and Herbst, Michael F. and Krauter, Caroline M. and Lefrancois, Daniel and Mewes, Jan-Michael and Mewes, Stefanie and Scheurer, Maximilian and Wenzel, Jan and Dreuw, Andreas},
  title={Software for the frontiers of quantum chemistry},
  subtitle={an overview of developments in the Q-Chem 5 package},
  year={2021},
  pages={1-60},
  language={eng},
  issn={1089-7690},
  volume={155},
  note={Gesehen am 19.11.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0055522},
}
@article{UBHD-68868964,
  author={Eppel, Daniel and Oberhof, Nils and Dietl, Martin C. and Cieslik, Patrick and Rudolph, Matthias and Eberle, Lukas and Kr{\"a}mer, Petra and Stuck, Fabian and Rominger, Frank and Dreuw, Andreas and Hashmi, A. Stephen K.},
  title={Gold(III) meets azulene},
  subtitle={a class of [(tBuC∧N∧C)AuIII(azulenyl)] Pincer complexes},
  year={2021},
  pages={3865-3870},
  language={eng},
  issn={1520-6041},
  volume={40},
  number={23},
  note={Gesehen am 20.01.2022},
  journal={Organometallics},
  doi={10.1021/acs.organomet.1c00535},
}
@article{UBHD-68197498,
  author={Faraji, Shirin and Dreuw, Andreas},
  title={Characterization of the intermediate in and identification of the repair mechanism of (6-4) photolesions by photolyases},
  year={2016},
  pages={5175-5178},
  language={eng},
  issn={1521-3773},
  volume={55},
  number={17},
  note={Gesehen am 04.12.2017},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201511950},
}
@article{UBHD-68202960,
  author={Faraji, Shirin and Dreuw, Andreas},
  title={Combined QM/MM investigation on the light-driven electron-induced repair of the (6-4) thymine dimer catalyzed by DNA photolyase},
  year={2013},
  pages={10071-10079},
  language={eng},
  issn={1520-5207},
  volume={117},
  number={35},
  note={Gesehen am 18.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/jp401662z},
}
@article{UBHD-68196531,
  author={Faraji, Shirin and Dreuw, Andreas},
  title={Insights into light-driven DNA repair by photolyases},
  subtitle={challenges and opportunities for electronic structure theory},
  year={2017},
  pages={37-50},
  language={eng},
  issn={1751-1097},
  volume={93},
  number={1},
  note={Gesehen am 01.12.2017},
  journal={Photochemistry and photobiology},
  doi={10.1111/php.12679},
}
@article{UBHD-68202334,
  author={Faraji, Shirin and Dreuw, Andreas},
  title={Physicochemical mechanism of light-driven DNA repair by (6-4) photolyases},
  year={2014},
  pages={275-292},
  language={eng},
  issn={1545-1593},
  volume={65},
  note={First published online as a review in advance on December 16, 2013 ; Gesehen am 15.12.2017},
  journal={Annual review of physical chemistry},
  doi={10.1146/annurev-physchem-040513-103626},
}
@article{UBHD-68202949,
  author={Faraji, Shirin and Dreuw, Andreas},
  title={Proton-transfer-steered mechanism of photolesion repair by (6-4)-photolyases},
  year={2012},
  pages={227-230},
  language={eng},
  issn={1948-7185},
  volume={3},
  number={2},
  note={Gesehen am 18.12.2017},
  journal={The journal of physical chemistry letters},
  doi={10.1021/jz201587v},
}
@article{UBHD-68201846,
  author={Faraji, Shirin and Wirz, Lukas and Dreuw, Andreas},
  title={Quantum chemical study of the enzymatic repair of T(6-4)C/C(6-4)T UV-photolesions by DNA photolyases},
  year={2013},
  pages={2817-2824},
  language={eng},
  issn={1439-7641},
  volume={14},
  number={12},
  note={Gesehen am 14.12.2017},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201300223},
}
@article{UBHD-69006679,
  author={Fedotov, Daniil A. and Scott, Mikael and Scheurer, Maximilian and Rehn, Dirk R. and Dreuw, Andreas and Coriani, Sonia},
  title={Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order},
  year={2022},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={157},
  note={Gesehen am 16.01.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0123030},
}
@article{UBHD-68488467,
  author={Fernández Galvan, Ignacio and Dreuw, Andreas},
  title={OpenMolcas},
  subtitle={from source code to Insight},
  year={2019},
  pages={5925-5964},
  language={eng},
  issn={1549-9626},
  volume={15},
  number={11},
  note={Gesehen am 13.02.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.9b00532},
}
@article{UBHD-68569310,
  author={Fletcher, Katharyn M. and Kr{\"a}mer, Maximilian and Bunz, Uwe H. F. and Dreuw, Andreas},
  title={The π-conjugation length determines the fluorescence quenching mechanism of aromatic aldehydes in water},
  year={2018},
  pages={710-718},
  language={eng},
  volume={515},
  note={Gesehen am 22.04.2020},
  journal={Chemical physics},
  doi={10.1016/j.chemphys.2018.07.008},
}
@article{UBHD-68199223,
  author={Fletcher, Katharyn M. and Bunz, Uwe H. F. and Dreuw, Andreas},
  title={Fluorescence quenching of benzaldehyde in water by hydrogen atom abstraction},
  year={2016},
  pages={2650-2653},
  language={eng},
  issn={1439-7641},
  volume={17},
  number={17},
  note={Gesehen am 07.12.2017},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201501059},
}
@article{UBHD-68202306,
  author={Fletcher, Katharyn M. and Dreuw, Andreas and Faraji, Shirin},
  title={Potential energy surfaces and approximate kinetic model for the excited state dynamics of Pigment Yellow 101},
  year={2014},
  pages={177-185},
  language={eng},
  issn={2210-271X},
  volume={1040-1041},
  number={Supplement C},
  note={Gesehen am 15.12.2017},
  journal={Computational and theoretical chemistry},
  doi={10.1016/j.comptc.2014.04.003},
}
@article{UBHD-68411288,
  author={Fransson, Thomas and Dreuw, Andreas},
  title={Simulating X-ray emission spectroscopy with algebraic diagrammatic construction schemes for the polarization propagator},
  year={2019},
  pages={546-556},
  language={eng},
  issn={1549-9626},
  volume={15},
  number={1},
  note={Published: November 27, 2018 ; Gesehen am 23.07.2019},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.8b01046},
}
@article{UBHD-68196533,
  author={Fransson, Thomas and Dreuw, Andreas},
  title={Static polarizabilities and C6 dispersion coefficients using the algebraicdiagrammatic construction scheme for the complex polarization propagator},
  year={2017},
  language={eng},
  issn={1089-7690},
  volume={146(2017},
  note={Im Titel erscheint die 6 tiefgestellt ; Gesehen am 01.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4977039},
}
@article{UBHD-68755654,
  author={Fransson, Thomas and Brumboiu, Iulia E. and Vidal, Marta L. and Norman, Patrick and Coriani, Sonia and Dreuw, Andreas},
  title={XABOOM},
  subtitle={an X-ray absorption benchmark of organic molecules based on carbon, nitrogen, and oxygen 1s → π* transitions},
  year={2021},
  pages={1618-1637},
  language={eng},
  issn={1549-9626},
  volume={17},
  number={3},
  note={Gesehen am 03.07.2021},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.0c01082},
}
@article{UBHD-68199935,
  author={Freudenberg, Jan and Kumpf, Jan and Sauter, Eric and W{\"o}rner, Svenja and Br{\"o}dner, Kerstin and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Water-soluble cruciforms and distyrylbenzenes},
  subtitle={synthesis, characterization, and pH-dependent amine-sensing properties},
  year={2013},
  pages={4949-4959},
  language={eng},
  issn={1520-6904},
  volume={78},
  number={10},
  note={Gesehen am 11.12.2017},
  journal={The journal of organic chemistry},
  doi={10.1021/jo400576y},
}
@book{UBHD-69254705,
  author={Fuchs, Kathleen and Oberhof, Nils and Sauter, Gabriel and Pollien, Audrey and Br{\"o}dner, Kerstin and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Tegeder, Petra and Bunz, Uwe H. F.},
  title={Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2024},
  pages={1 Online-Ressource (8 Files)},
  language={eng},
  note={Gef{\"o}rdert durch: Deutsche Forschungsgemeinschaft (SFB) 1249 - Project Number 281029004; Projects A1, B1 and B6 ; Gesehen am 19.09.2024},
  doi={10.11588/data/R3IMSQ},
  url={https://doi.org/10.11588/data/R3IMSQ},
  library={UB},
}
@article{UBHD-69323540,
  author={Fuchs, Kathleen and Oberhof, Nils and Sauter, Gabriel and Pollien, Audrey and Br{\"o}dner, Kerstin and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Tegeder, Petra and Bunz, Uwe H. F.},
  title={Azaacene diradicals based on non-kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region},
  year={2024},
  pages={1-7},
  language={eng},
  issn={1521-3773},
  volume={63},
  note={Online veroffentlicht: 27 August 2024 ; Gesehen am 31.03.2025},
  journal={Angewandte Chemie},
  doi={10.1002/anie.202406384},
}
@article{UBHD-69254709,
  author={Fuchs, Kathleen and Oberhof, Nils and Sauter, Gabriel and Pollien, Audrey and Br{\"o}dner, Kerstin and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Tegeder, Petra and Bunz, Uwe H. F.},
  title={Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region},
  year={2024},
  pages={1-9},
  language={eng},
  issn={1521-3773},
  number={Artikel-ID e202406384},
  note={Gesehen am 19.09.2024},
  journal={Angewandte Chemie},
  doi={10.1002/anie.202406384},
}
@article{UBHD-69095066,
  author={Fuchs, Kathleen and Medina Rivero, Samara and Weidlich, Anna and Rominger, Frank and Israel, Noel and Popov, Alexey A. and Dreuw, Andreas and Freudenberg, Jan and Casado, Juan and Bunz, Uwe H. F.},
  title={Dimerisierung eines reaktiven Azaacen Diradikals},
  subtitle={Synthese eines kovalenten Azaacen-K{\"a}figs},
  year={2023},
  pages={1-9},
  language={ger},
  issn={1521-3757},
  volume={135},
  number={Artikel-ID e202305712},
  note={Gesehen am 10.07.2023},
  journal={Angewandte Chemie},
  doi={10.1002/ange.202305712},
}
@book{UBHD-69196456,
  author={Fuchs, Kathleen and Rivero, Samara M. and Weidlich, Anna and Rominger, Frank and Israel, Noel and Popov, Alexey A. and Dreuw, Andreas and Freudenberg, Jan and Casado, Juan and Bunz, Uwe H. F.},
  title={Dimerization of a reactive azaacene diradical},
  subtitle={synthesis of a covalent azaacene cage [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2023},
  pages={1 Online-Ressource (6 Files)},
  language={eng},
  note={Gef{\"o}rdert durch: Deutsche Forschungsgemeinschaft (SFB) 1249 and grant PO 1602/11-1 to AAP; Spanish Ministry of Science, Innovation and Universities MCIU, project MINECO/FEDER and the Junta de Andalucía (PROYEXCEL-0328); Research Central Services (SCAI) of the university of Málaga ; Gesehen am 02.04.2024},
  doi={10.11588/data/QO118B},
  url={https://doi.org/10.11588/data/QO118B},
  library={UB},
}
@article{UBHD-69095059,
  author={Fuchs, Kathleen and Medina Rivero, Samara and Weidlich, Anna and Rominger, Frank and Israel, Noel and Popov, Alexey A. and Dreuw, Andreas and Freudenberg, Jan and Casado, Juan and Bunz, Uwe H. F.},
  title={Dimerization of a reactive azaacene diradical},
  subtitle={synthesis of a covalent azaacene cage},
  year={2023},
  pages={1-9},
  language={eng},
  issn={1521-3773},
  volume={62},
  note={Gesehen am 10.07.2023},
  journal={Angewandte Chemie},
  doi={10.1002/anie.202305712},
  url={https://doi.org/10.1002/anie.202305712},
  library={UB},
}
@article{UBHD-68432590,
  author={Ganschow, Michael and Koser, Silke and Hodecker, Manuel and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Azaacenes bearing five-membered rings},
  year={2018},
  pages={13667-13675},
  language={eng},
  issn={1521-3765},
  volume={24},
  number={51},
  note={Gesehen am 24.09.2019},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201802900},
}
@article{UBHD-68202943,
  author={García-Fernández, Pablo and Dreuw, Andreas},
  title={A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory},
  year={2013},
  language={eng},
  issn={1089-7690},
  volume={139(2013},
  note={Gesehen am 18.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4827398},
}
@article{UBHD-68202989,
  author={Gard, Matthew N. and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Cruciforms’ polarized emission confirms disjoint molecular orbitals and excited states},
  year={2012},
  pages={1000-1003},
  language={eng},
  issn={1523-7052},
  volume={14},
  number={4},
  note={Gesehen am 18.12.2017},
  journal={Organic letters},
  doi={10.1021/ol203321m},
}
@article{UBHD-68195724,
  author={Gustmann, Henrik and Lefrancois, Daniel and Dreuw, Andreas},
  title={Spin the light off},
  subtitle={rapid internal conversion into a dark doublet state quenches the fluorescence of an RNA spin label},
  year={2017},
  pages={26255-26264},
  language={eng},
  issn={1463-9084},
  volume={19},
  number={38},
  note={Gesehen am 29.11.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C7CP03975A},
}
@article{UBHD-68250045,
  author={Hahn, Sebastian and Koser, Silke and Hodecker, Manuel and Tverskoy, Olena and Rominger, Frank and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Alkyne-substituted N-heterophenes},
  year={2017},
  pages={8148-8151},
  language={eng},
  issn={1521-3765},
  volume={23},
  number={34},
  note={Gesehen am 07.05.2018},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201701304},
}
@article{UBHD-68422355,
  author={Hahn, Sebastian and Koser, Silke and Hodecker, Manuel and Seete, Pascal and Rominger, Frank and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Phenylene bridged cyclic azaacenes},
  subtitle={dimers and trimers},
  year={2018},
  pages={6968-6974},
  language={eng},
  issn={1521-3765},
  volume={24},
  number={27},
  note={Gesehen am 20.08.2019},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201705704},
}
@article{UBHD-68661722,
  author={Han, Jie and Rehn, Dirk R. and Buckup, Tiago and Dreuw, Andreas},
  title={Evaluation of single-reference DFT-based approaches for the calculation of spectroscopic signatures of excited states involved in singlet fission},
  year={2020},
  pages={8446-8460},
  language={eng},
  issn={1520-5215},
  volume={124},
  number={41},
  note={Gesehen am 17.11.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.0c07236},
}
@incollection{UBHD-68202997,
  author={Harbach, Philipp H. P. and Dreuw, Andreas},
  title={The art of choosing the right quantum chemical excited-state method for large molecular systems},
  year={2011},
  pages={29-47},
  language={eng},
  isbn={978-3-527-63642-6 and 1-283-86977-2 and 3-527-63642-0 and 978-3-527-63641-9 and 3-527-63641-2 and 978-3-527-63643-3 and 3-527-63643-9 and 978-3-527-63640-2 and 3-527-63640-4 and 978-1-283-86977-5},
  note={Gesehen am 18.12.2017},
  booktitle={Modeling of molecular properties},
  doi={10.1002/9783527636402.ch3},
}
@article{UBHD-68202947,
  author={Harbach, Philipp H. P. and Schneider, Matthias and Faraji, Shirin and Dreuw, Andreas},
  title={Intermolecular coulombic decay in biology},
  subtitle={the initial electron detachment from FADH- in DNA photolyases},
  year={2013},
  pages={943-949},
  language={eng},
  issn={1948-7185},
  volume={4},
  number={6},
  note={Gesehen am 18.12.2017},
  journal={The journal of physical chemistry letters},
  doi={10.1021/jz400104h},
}
@article{UBHD-68202314,
  author={Harbach, Philipp H. P. and Wormit, Michael and Dreuw, Andreas},
  title={The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules},
  subtitle={efficient implementation and benchmarking},
  year={2014},
  pages={17 S.},
  language={eng},
  issn={1089-7690},
  volume={141(2014},
  note={Gesehen am 15.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4892418},
}
@article{UBHD-68997709,
  author={Heckershoff, Robin and Maier, Steffen and Wurm, Thomas and Biegger, Philipp and Br{\"o}dner, Kerstin and Kr{\"a}mer, Petra and Hoffmann, Marvin and Eberle, Lukas and Stein, Jana and Rominger, Frank and Rudolph, Matthias and Freudenberg, Jan and Dreuw, Andreas and Hashmi, A. Stephen K. and Bunz, Uwe H. F.},
  title={Cyclopentannulated dihydrotetraazapentacenes},
  year={2022},
  pages={1-8},
  language={eng},
  issn={1521-3765},
  volume={28},
  note={Online ver{\"o}ffentlicht am 12. Januar 2022 ; Gesehen am 15.12.2022},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202104203},
  url={https://doi.org/10.1002/chem.202104203},
  library={UB},
}
@article{UBHD-68685989,
  author={Hendrich, Christoph and Bongartz, Lukas and Hoffmann, Marvin and Zschieschang, Ute and Borchert, James W. and Sauter, Désirée and Kr{\"a}mer, Petra and Rominger, Frank and Mulks, Florian and Rudolph, Matthias and Dreuw, Andreas and Klauk, Hagen and Hashmi, A. Stephen K.},
  title={Gold catalysis meets materials science},
  subtitle={a new approach to π-extended indolocarbazoles},
  year={2021},
  pages={549-557},
  language={eng},
  issn={1615-4169},
  volume={363},
  number={2},
  note={First published: 02 November 2020, version of record online: November 24, 2020 ; Gesehen am 29.01.2021},
  journal={Advanced synthesis & catalysis},
  doi={10.1002/adsc.202001123},
  url={https://doi.org/https://doi.org/10.1002/adsc.202001123},
  library={UB},
}
@article{UBHD-69057198,
  author={Hendrich, Christoph and Senn, Sebastian and Haas, Lea and Hoffmann, Marvin and Zschieschang, Ute and Greiner, Luca C. and Rominger, Frank and Rudolph, Matthias and Klauk, Hagen and Dreuw, Andreas and Hashmi, A. Stephen K.},
  title={“Golden” cascade cyclization to Benzo[c]-Phenanthridines},
  year={2021},
  pages={14778-14784},
  language={eng},
  issn={1521-3765},
  volume={27},
  number={59},
  note={Gesehen am 28.03.2023},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202102134},
  url={https://doi.org/10.1002/chem.202102134},
  library={UB},
}
@article{UBHD-68367415,
  author={Herbst, Michael F. and Avery, James Emil and Dreuw, Andreas},
  title={Quantum chemistry with Coulomb Sturmians},
  subtitle={construction and convergence of Coulomb Sturmian basis sets at the Hartree-Fock level},
  year={2019},
  pages={14 S.},
  language={eng},
  issn={2469-9934},
  volume={99(2019},
  note={Gesehen am 07.03.2019},
  journal={Physical review},
  doi={10.1103/PhysRevA.99.012512},
}
@article{UBHD-68469449,
  author={Herbst, Michael F. and Dreuw, Andreas and Avery, James Emil},
  title={Toward quantum-chemical method development for arbitrary basis functions},
  year={2018},
  pages={15 S.},
  language={eng},
  issn={1089-7690},
  volume={149(2018},
  note={Published online 27 August 2018 ; Gesehen am 18.12.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5044765},
}
@article{UBHD-68466578,
  author={Hodecker, Manuel and Dempwolff, Adrian and Rehn, Dirk R. and Dreuw, Andreas},
  title={Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. I. Excitation energies},
  year={2019},
  pages={16 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 11.12.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5081663},
}
@article{UBHD-68468072,
  author={Hodecker, Manuel and Rehn, Dirk R. and Norman, Patrick and Dreuw, Andreas},
  title={Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. II. Static polarizabilities},
  year={2019},
  pages={11 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 16.12.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5081665},
}
@article{UBHD-68791485,
  author={Hodecker, Manuel and Kozhemyakin, Yury and Weigold, Svenja and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={A doubly bridged bis(phenylethynyl)benzene},
  subtitle={different from a twisted tolan},
  year={2020},
  pages={16990-16993},
  language={eng},
  issn={1521-3765},
  volume={26},
  number={71},
  note={First published: 05 October 2020 ; Gesehen am 19.10.2021},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202002552},
  url={https://doi.org/10.1002/chem.202002552},
  library={UB},
}
@article{UBHD-68559621,
  author={Hodecker, Manuel and Rehn, Dirk R. and Dreuw, Andreas},
  title={Hermitian second-order methods for excited electronic states},
  subtitle={unitary coupled cluster in comparison with algebraic-diagrammatic construction schemes},
  year={2020},
  pages={12 S.},
  language={eng},
  issn={1089-7690},
  volume={152(2020},
  note={Gesehen am 31.03.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.5142354},
}
@article{UBHD-68556378,
  author={Hodecker, Manuel and Rehn, Dirk R. and Dreuw, Andreas},
  title={Similarities and differences of the Lagrange formalism and the intermediate state representation in the treatment of molecular properties},
  year={2019},
  pages={15 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 27.03.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.5093606},
}
@article{UBHD-68197491,
  author={Hodecker, Manuel and Dreuw, Andreas},
  title={Simulation of vacuum UV absorption and electronic circular dichroism spectra of methyl oxirane},
  subtitle={the role of vibrational effects},
  year={2016},
  pages={2820-2833},
  language={eng},
  issn={1549-9626},
  volume={12},
  number={6},
  note={Gesehen am 04.12.2016},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.6b00121},
}
@article{UBHD-68898690,
  author={Hodecker, Manuel and Dempwolff, Adrian and Schirmer, Jochen and Dreuw, Andreas},
  title={Theoretical analysis and comparison of unitary coupled-cluster and algebraic-diagrammatic construction methods for ionization},
  year={2022},
  pages={1-17},
  language={eng},
  issn={1089-7690},
  volume={156},
  note={Gesehen am 23.03.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0070967},
}
@article{UBHD-68620394,
  author={Hodecker, Manuel and Thielen, Sebastian M. and Rehn, Dirk R. and Dreuw, Andreas},
  title={Third-order unitary coupled cluster (UCC3) for excited electronic states},
  subtitle={efficient implementation and benchmarking},
  year={2020},
  pages={3654-3663},
  language={eng},
  issn={1549-9626},
  volume={16},
  number={6},
  note={Gesehen am 23.07.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.0c00335},
}
@article{UBHD-68619690,
  author={Hodecker, Manuel and Bunz, Uwe H. F. and Dreuw, Andreas},
  title={Twisting and bending photo-excited phenylethynylbenzenes},
  subtitle={a theoretical analysis},
  year={2020},
  pages={9974-9981},
  language={eng},
  issn={1463-9084},
  volume={22},
  number={18},
  note={Gesehen am 22.07.2020},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/D0CP01662D},
}
@article{UBHD-68647399,
  author={Hodecker, Manuel and Dreuw, Andreas},
  title={Unitary coupled cluster ground- and excited-state molecular properties},
  year={2020},
  pages={10 S.},
  language={eng},
  issn={1089-7690},
  volume={153(2020},
  note={Gesehen am 12.10.2020},
  journal={The journal of chemical physics},
  doi={10.1063/5.0019055},
}
@article{UBHD-68862528,
  author={Hoffmann, Marvin and Dreuw, Andreas},
  title={Deciphering excited state properties utilizing algebraic diagrammatic construction schemes of decreasing order},
  year={2021},
  pages={793-800},
  language={eng},
  issn={1096-987X},
  volume={42},
  number={11},
  note={Gesehen am 04.01.2022},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.26499},
  url={https://doi.org/10.1002/jcc.26499},
  library={UB},
}
@article{UBHD-68453717,
  author={Hoffmann, Marvin and Dreuw, Andreas},
  title={Electron-hole correlation as unambiguous and universal classification for the nature of low-lying ππ* states of nitrogen heterocycles},
  year={2019},
  pages={6112-6117},
  language={eng},
  issn={1948-7185},
  volume={10},
  number={20},
  note={Gesehen am 12.11.2019},
  journal={The journal of physical chemistry letters},
  doi={10.1021/acs.jpclett.9b02522},
}
@book{UBHD-69225757,
  author={Hoffmann, Marvin and Ajdari, Mohsen and Landwehr, Felix and Tverskoy, Olena and Bunz, Uwe H. F. and Dreuw, Andreas and Tegeder, Petra},
  title={Influence of N-introduction in pentacene on the electronic structure and excited electronic states [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2024},
  pages={1 Online-Ressource (9 Files)},
  language={eng},
  note={Gef{\"o}rdert durch: Deutsche Forschungsgemeinschaft: SFB 1249: N-heteropolycycles as functional materials: 281029004-SFB 1249, Projects A05, B01, and B06 ; Gesehen am 24.06.2024},
  doi={10.11588/data/TUQIHY},
  url={https://doi.org/10.11588/data/TUQIHY},
  library={UB},
}
@article{UBHD-69225762,
  author={Hoffmann, Marvin and Ajdari, Mohsen and Landwehr, Felix and Tverskoy, Olena and Bunz, Uwe H. F. and Dreuw, Andreas and Tegeder, Petra},
  title={Influence of N-introduction in pentacene on the electronic structure and excited electronic states},
  year={2022},
  pages={3924-3932},
  language={eng},
  issn={1463-9084},
  volume={24},
  number={6},
  note={Gesehen am 24.06.2024},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/D1CP05273J},
}
@article{UBHD-68200697,
  author={Holland, David M.P. and Gromov, Evgeniy and Wormit, Michael and Dreuw, Andreas},
  title={A study of the excited electronic states of normal and fully deuterated furan by photoabsorption spectroscopy and high-level ab initio calculations},
  year={2015},
  pages={184-195},
  language={eng},
  issn={0022-2852},
  volume={315},
  number={Supplement C},
  note={Gesehen am 12.12.2017},
  journal={Journal of molecular spectroscopy},
  doi={10.1016/j.jms.2015.03.002},
}
@article{UBHD-68800863,
  author={Intorp, Sebastian and Hodecker, Manuel and M{\"u}ller, Matthias and Tverskoy, Olena and Rosenkranz, Marco and Dmitrieva, Evgenia and Popov, Alexey A. and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Quinoidal azaacenes},
  subtitle={99 % diradical character},
  year={2020},
  pages={12396-12401},
  language={eng},
  issn={1521-3773},
  volume={59},
  number={30},
  note={Version of record online: April 28, 2020 ; Gesehen am 12.11.2021},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201915977},
  url={https://doi.org/10.1002/anie.201915977},
  library={UB},
}
@article{UBHD-68800866,
  author={Intorp, Sebastian and Hodecker, Manuel and M{\"u}ller, Matthias and Tverskoy, Olena and Rosenkranz, Marco and Dmitrieva, Evgenia and Popov, Alexey A. and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Quinoidal azaacenes},
  subtitle={99 % diradical character},
  year={2020},
  pages={12496-12501},
  language={eng},
  issn={1521-3757},
  volume={59},
  number={30},
  note={Version of record online: April 28, 2020 ; Gesehen am 12.11.2021},
  journal={Angewandte Chemie},
  doi={10.1002/ange.201915977},
  url={https://doi.org/10.1002/ange.201915977},
  library={UB},
}
@article{UBHD-68228547,
  author={Irngartinger, Hermann and Strack, Stefan and Gredel, Frank and Dreuw, Andreas and Della, Ernest W.},
  title={The Cubane cage - a sensitive probe for assessing substituent effects on a four-membered ring, part II},
  year={1999},
  pages={1253-1257},
  language={eng},
  issn={1099-0690},
  number={5},
  note={Gesehen am 09.03.2018},
  journal={European journal of organic chemistry},
  doi={10.1002/(SICI)1099-0690(199905)1999:5<1253AID-EJOC1253>3.0.CO;2-M},
}
@article{UBHD-68668486,
  author={Jahnke, Till and Hergenhahn, Uwe and Winter, Bernd and D{\"o}rner, Reinhard and Fr{\"u}hling, Ulrike and Demekhin, Philipp V. and Gokhberg, Kirill and Cederbaum, Lorenz S. and Ehresmann, Arno and Knie, André and Dreuw, Andreas},
  title={Interatomic and intermolecular Coulombic decay},
  year={2020},
  pages={11295-11369},
  language={eng},
  issn={1520-6890},
  volume={120},
  number={20},
  note={Gesehen am 03.12.2020},
  journal={Chemical reviews},
  doi={10.1021/acs.chemrev.0c00106},
}
@book{UBHD-69318130,
  author={Jester, Fabian and Kaczun, Tobias and Maier, Steffen and Meiners, Paul and Weigold, Svenja and Rominger, Frank and Dreuw, Andreas and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={Diels-Alder reactivity of triisopropylsilyl ethynyl substituted acenes [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2024},
  pages={1 Online-Ressource (5 Files)},
  language={eng},
  note={Gef{\"o}rdert durch: Deutsche Forschungsgemeinschaft (SFB): 1249, Deutsche Forschungsgemeinschaft: INST 40/575-1 FUGG, Deutsche Forschungsgemeinschaft: INST 35/1596-1 FUGG ; Gesehen am 13.03.2025},
  doi={10.11588/DATA/HCEAB4},
  url={https://doi.org/10.11588/DATA/HCEAB4},
  library={UB},
}
@article{UBHD-69318135,
  author={Jester, Fabian and Kaczun, Tobias and Maier, Steffen and Meiners, Paul and Weigold, Svenja and Rominger, Frank and Dreuw, Andreas and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={Diels-Alder reactivity of triisopropylsilyl ethynyl substituted acenes},
  year={2025},
  pages={1-6},
  language={eng},
  issn={1521-3765},
  volume={31},
  note={Online ver{\"o}ffentlicht: 17. Oktober 2024 ; Gesehen am 13.03.2025},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202403522},
}
@article{UBHD-68199213,
  author={Ji, Lei and Biegger, Philipp and Geyer, Florian Ludwig and Tverskoy, Olena and Schaffroth, Manuel and Han, Jie and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={The radical anion and dianion of tetraazapentacene},
  year={2016},
  pages={10498-10501},
  language={eng},
  issn={1521-3773},
  volume={55},
  number={35},
  note={Gesehen am 07.12.2017},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201603177},
}
@article{UBHD-68448969,
  author={Ji, Lei and Hahn, Sebastian and Biegger, Philipp and Reiß, Hilmar and Han, Jie and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Mono- and dianion of a bis(benzobuta)tetraazapentacene derivative},
  year={2019},
  pages={9840-9845},
  language={eng},
  issn={1521-3765},
  volume={25},
  number={42},
  note={Gesehen am 31.10.2019 ; Falsche Namensform Phillip Biegger im Dokument},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201901982},
}
@article{UBHD-68201831,
  author={Ji, Lei and Hahn, Sebastian and Geyer, Florian Ludwig and Tverskoy, Olena and Han, Jie and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Preparation, properties, and structures of the radical anions and dianions of azapentacenes},
  year={2017},
  pages={15968-15976},
  language={eng},
  issn={1520-5126},
  volume={139},
  number={44},
  note={Gesehen am 14.12.2017},
  journal={Journal of the American Chemical Society},
  doi={10.1021/jacs.7b09460},
}
@article{UBHD-69281531,
  author={Jocic, Angelina and Galindo, Danyellen and Weidlich, Anna and Zerhoch, Jonathan and Rominger, Frank and Buckup, Tiago and Deschler, Felix and Dreuw, Andreas and Kivala, Milan},
  title={Control of photoinduced charge transfer through selective cyanation of spirofluorene-bridged N-heterotriangulenes},
  year={2024},
  pages={1-8},
  language={eng},
  issn={2195-1071},
  volume={12},
  note={Zuerst ver{\"o}ffentlicht: 05. Juli 2024 ; Gesehen am 09.12.2024},
  journal={Advanced optical materials},
  doi={10.1002/adom.202401656},
}
@article{UBHD-69106590,
  author={Kefer, Oskar and Ahrens, Lukas and Han, Jie and Wollscheid, Nikolaus and Misselwitz, Erik and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F. and Buckup, Tiago},
  title={Efficient intramolecular singlet fission in spiro-linked heterodimers},
  year={2023},
  pages={17965-17974},
  language={eng},
  issn={1520-5126},
  volume={145},
  number={32},
  note={Online ver{\"o}ffentlicht: 3 August 2023 ; Gesehen am 04.08.2023},
  journal={Journal of the American Chemical Society},
  doi={10.1021/jacs.3c05518},
}
@book{UBHD-69192744,
  author={Kefer, Oskar and Ahrens, Lukas and Han, Jie and Wollscheid, Nikolaus and Misselwitz, Erik and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F. and Buckup, Tiago},
  title={Efficient intramolecular singlet fission in spiro-linked heterodimers [research data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2024},
  pages={1 Online-Ressource (4 Files)},
  language={eng},
  note={Gef{\"o}rdert durch: Deutsche Forschungsgemeinschaft (DFG): SFB 1249 ; Gesehen am 18.03.2024},
  doi={10.11588/data/HMRSVO},
  url={https://doi.org/10.11588/data/HMRSVO},
  library={UB},
}
@article{UBHD-68196532,
  author={Kirschner, Sven and Mewes, Jan-Michael and Dreuw, Andreas},
  title={How boron doping shapes the optoelectronic properties of canonical and phenylene-containing oligoacenes},
  subtitle={a combined experimental and theoretical investigation},
  year={2017},
  pages={5104-5116},
  language={eng},
  issn={1521-3765},
  volume={23},
  number={21},
  note={Gesehen am 01.12.2017},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201700056},
}
@article{UBHD-68197493,
  author={Knippenberg, Stefan and Dreuw, Andreas},
  title={Benchmarking post-hartree-fock methods to describe the nonlinear optical properties of polymethines},
  subtitle={an investigation of the accuracy of algebraic diagrammatic construction (ADC) approaches},
  year={2016},
  pages={5465-5476},
  language={eng},
  issn={1549-9626},
  volume={12},
  number={11},
  note={Gesehen am 04.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.6b00615},
}
@article{UBHD-68202945,
  author={Knippenberg, Stefan and Rehn, Dirk R. and Wormit, Michael and Dreuw, Andreas},
  title={Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach},
  subtitle={two-photon absorption spectra},
  year={2012},
  language={eng},
  issn={1089-7690},
  volume={136(2012},
  note={Gesehen am 18.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.3682324},
}
@article{UBHD-68202993,
  author={Knippenberg, Stefan and Dreuw, Andreas},
  title={Large amplitude motions in cyclopentene and 1-butene},
  subtitle={quantum chemical insights into the ground- and excited state potential energy surfaces},
  year={2011},
  pages={525-539},
  language={eng},
  issn={2196-7156},
  volume={225},
  number={5},
  note={Gesehen am 18.12.2017},
  journal={Zeitschrift f{\"u}r physikalische Chemie},
  doi={10.1524/zpch.2011.0096},
}
@article{UBHD-68201336,
  author={Knippenberg, Stefan and Schneider, Matthias and Dreuw, Andreas},
  title={The molecular mechanism of photochromism in photo-enolizable quinoline and napthyridine derivatives},
  year={2012},
  pages={12321-12329},
  language={eng},
  issn={1520-5215},
  volume={116},
  number={50},
  note={Gesehen am 13.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/jp3097692},
}
@article{UBHD-68201847,
  author={Knippenberg, Stefan and Dreuw, Andreas},
  title={Simulation of photoelectron spectra using the reflection principle in combination with unrestricted excitation ADC(2) to assess the accuracy of excited-state calculations},
  year={2011},
  pages={3180-3191},
  language={eng},
  issn={1439-7641},
  volume={12},
  number={17},
  note={Gesehen am 14.12.2017},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201100485},
}
@article{UBHD-68200210,
  author={Knippenberg, Stefan and Bohnwagner, Mercedes V. and Harbach, Philipp H. P. and Dreuw, Andreas},
  title={Strong electronic coupling dominates the absorption and fluorescence spectra of covalently bound BisBODIPYs},
  year={2015},
  pages={1323-1331},
  language={eng},
  issn={1520-5215},
  volume={119},
  number={8},
  note={Gesehen am 08.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.5b00637},
}
@article{UBHD-68198118,
  author={Kohl, Bernd and Bohnwagner, Mercedes V. and Rominger, Frank and Wadepohl, Hubert and Dreuw, Andreas and Mastalerz, Michael},
  title={Attractive dispersion interactions versus steric repulsion of tert-butyl groups in the crystal packing of a D3h-symmetric tris(quinoxalinophenanthrophenazine)},
  year={2016},
  pages={646-655},
  language={eng},
  issn={1521-3765},
  volume={22},
  number={2},
  note={First published: 2 December 2015 ; Im Titel sind die Zeichen "3h" tiefgestellt ; Gesehen am 05.12.2017},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201503863},
}
@article{UBHD-68201825,
  author={Kohl-Landgraf, J{\"o}rg and Lefrancois, Daniel and Mewes, Jan-Michael and Dreuw, Andreas},
  title={Mechanism of the photoinduced uncaging reaction of puromycin protected by a 6-nitroveratryloxycarbonyl group},
  year={2014},
  pages={3430-3438},
  language={eng},
  issn={1520-5126},
  volume={136},
  number={9},
  note={Gesehen am 14.12.2017},
  journal={Journal of the American Chemical Society},
  doi={10.1021/ja410594y},
}
@article{UBHD-68194672,
  author={Komainda, Adrian and Lefrancois, Daniel and Dreuw, Andreas and K{\"o}ppel, Horst},
  title={Theoretical study of the initial non-radiative 1 Bu → 2 Ag transition in the fluorescence quenching of s-trans-butadine},
  subtitle={electronic structure methods and quantum dynamics},
  year={2017},
  pages={27-38},
  language={eng},
  volume={482},
  note={Im Titel erscheinen bei dem Begriff "1 Bu → 2 Ag" die Zeichen u und g tiefergestellt ; Online verf{\"u}gbar seit dem 28.09.2016, gesehen am 27.11.2017},
  journal={Chemical physics},
  doi={10.1016/j.chemphys.2016.09.031},
}
@article{UBHD-68325819,
  author={Kozhemyakin, Yury and Kretzschmar, Andreas and Kr{\"a}mer, Maximilian and Rominger, Frank and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Synthesis and properties of functional twisted tolanes},
  year={2017},
  pages={9908-9918},
  language={eng},
  issn={1521-3765},
  volume={23},
  number={41},
  note={Gesehen am 07.11.2018},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201701519},
}
@article{UBHD-68482393,
  author={Kozhemyakin, Yury and Kr{\"a}mer, Maximilian and Rominger, Frank and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={A tethered tolane},
  subtitle={twisting the excited state},
  year={2018},
  pages={15219-15222},
  language={eng},
  issn={1521-3765},
  volume={24},
  number={57},
  note={Version of record online: September 11, 2018 ; Gesehen am 30.01.2020},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201804095},
}
@article{UBHD-68195734,
  author={Kr{\"a}mer, Maximilian and Bunz, Uwe H. F. and Dreuw, Andreas},
  title={Comprehensive look at the photochemistry of Tolane},
  year={2017},
  pages={946-953},
  language={eng},
  issn={1520-5215},
  volume={121},
  number={5},
  note={Gesehen am 29.11.201},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.6b09596},
}
@article{UBHD-68194678,
  author={Krauter, Caroline M. and Pernpointner, Markus and Dreuw, Andreas},
  title={Algebraic diagrammatic construction for the polarization propagator with spin-orbit coupling},
  year={2017},
  pages={286-293},
  language={eng},
  volume={482},
  note={Online verf{\"u}gbar seit 15.09.2016, gesehen am 27.11.2017},
  journal={Chemical physics},
  doi={10.1016/j.chemphys.2016.09.018},
}
@article{UBHD-68202321,
  author={Krauter, Caroline M. and Pernpointner, Markus and Dreuw, Andreas},
  title={Application of the scaled-opposite-spin approximation to algebraic diagrammatic construction schemes of second order},
  year={2013},
  language={eng},
  issn={1089-7690},
  volume={138(2013},
  note={Gesehen am 15.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4776675},
}
@article{UBHD-68201306,
  author={Krauter, Caroline M. and Pernpointner, Markus and Dreuw, Andreas},
  title={Identification of plasmons in molecules with scaled ab initio approaches},
  year={2015},
  pages={24564-24573},
  language={eng},
  issn={1932-7455},
  volume={119},
  number={43},
  note={Gesehen am 13.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.5b07659},
}
@article{UBHD-67747290,
  author={Krauter, Caroline M. and Schirmer, Jochen and Pernpointner, Markus and Dreuw, Andreas},
  title={Plasmons in molecules},
  subtitle={Microscopic characterization based on orbital transitions and momentum conservation},
  year={2014},
  pages={104101/1-104101/11},
  language={eng},
  issn={0021-9606},
  volume={141},
  journal={The journal of chemical physics},
}
@article{UBHD-68199963,
  author={Krauter, Caroline M. and Schirmer, Jochen and Pernpointner, Markus and Dreuw, Andreas},
  title={Plasmons in molecules},
  subtitle={microscopic characterization based on orbital transitions and momentum conservation},
  year={2014},
  language={eng},
  issn={1089-7690},
  volume={141(2014},
  note={Gesehen am 11.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4894266},
}
@article{UBHD-69273572,
  author={Kulahlioglu, Adem Halil and Dreuw, Andreas},
  title={Dense-sparse quantum Monte Carlo algebraic diagrammatic construction and importance ranking},
  year={2024},
  pages={1-18},
  language={eng},
  issn={1089-7690},
  volume={160},
  note={Online ver{\"o}ffentlicht: 24. Mai 2024 ; Gesehen am 14.11.2024},
  journal={The journal of chemical physics},
  doi={10.1063/5.0209137},
}
@article{UBHD-68961639,
  author={Kulahlioglu, Adem Halil and Rehn, Dirk R. and Dreuw, Andreas},
  title={Quantum Monte Carlo formulation of the second order algebraic diagrammatic construction},
  subtitle={toward a massively parallel correlated excited state method},
  year={2022},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={156},
  note={Gesehen am 07.09.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0071091},
}
@article{UBHD-68199928,
  author={Kumpf, Jan and Freudenberg, Jan and Fletcher, Katharyn M. and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Detection of amines with extended distyrylbenzenes by strip assays},
  year={2014},
  pages={6634-6645},
  language={eng},
  issn={1520-6904},
  volume={79},
  number={14},
  note={Gesehen am 11.12.2017},
  journal={The journal of organic chemistry},
  doi={10.1021/jo501129d},
}
@article{UBHD-68202991,
  author={Kunitski, Maksim and Dreuw, Andreas},
  title={The conformational stability of gaseous 1-butene studied by femtosecond nonlinear spectroscopy and ab initio calculations},
  year={2011},
  pages={13-18},
  language={eng},
  issn={0924-2031},
  volume={56},
  number={1},
  note={Gesehen am 18.12.2017 ; Available online 3 August 2010},
  journal={Vibrational spectroscopy},
  doi={10.1016/j.vibspec.2010.07.006},
}
@article{UBHD-68198757,
  author={Lefrancois, Daniel and Rehn, Dirk R. and Dreuw, Andreas},
  title={Accurate adiabatic singlet-triplet gaps in atoms and molecules employing the third-order spin-flip algebraic diagrammatic construction scheme for the polarization propagator},
  year={2016},
  language={eng},
  issn={1089-7690},
  volume={145(2016},
  note={Gesehen am 06.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4961298},
}
@article{UBHD-68199941,
  author={Lefrancois, Daniel and Wormit, Michael and Dreuw, Andreas},
  title={Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz},
  year={2015},
  pages={10 S.},
  language={eng},
  issn={1089-7690},
  volume={143(2015},
  note={Gesehen am 11.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4931653},
}
@article{UBHD-68201333,
  author={Lefrancois, Daniel and Dreuw, Andreas},
  title={The spin-flip variant of the algebraic-diagrammatic construction yields the correct topology of S1/S0 conical intersections},
  year={2017},
  pages={4436-4441},
  language={eng},
  issn={1549-9626},
  volume={13},
  number={9},
  note={Im Titel erscheinen die Ziffern 1 und 0 tiefgestellt. ; Gesehen am 13.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.7b00634},
}
@article{UBHD-69254420,
  author={Leitner, Jonas and Dempwolff, Adrian and Dreuw, Andreas},
  title={Fourth-order algebraic diagrammatic construction for electron detachment and attachment},
  subtitle={the IP- and EA-ADC(4) methods},
  year={2024},
  pages={7680-7690},
  language={eng},
  issn={1520-5215},
  volume={128},
  number={36 vom: Sept.},
  note={Online ver{\"o}ffentlicht: 30. August 2024 ; Gesehen am 18.09.2024},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.4c03037},
}
@article{UBHD-69008167,
  author={Leitner, Jonas and Dempwolff, Adrian and Dreuw, Andreas},
  title={The fourth-order algebraic diagrammatic construction scheme for the polarization propagator},
  year={2022},
  pages={1-15},
  language={eng},
  issn={1089-7690},
  volume={157},
  note={Gesehen am 19.01.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0123814},
}
@article{UBHD-68483506,
  author={Leverenz, Malte and Merten, Christian and Dreuw, Andreas and Bach, Thorsten},
  title={Lewis acid catalyzed enantioselective photochemical rearrangements on the singlet potential energy surface},
  year={2019},
  pages={20053-20057},
  language={eng},
  issn={1520-5126},
  volume={141},
  number={51},
  note={Gesehen am 03.02.2020},
  journal={Journal of the American Chemical Society},
  doi={10.1021/jacs.9b12068},
}
@article{UBHD-68202939,
  author={Lieblein, Anna Lena and Kr{\"a}mer, Maximilian and Dreuw, Andreas},
  title={The nature of hydrogen bonds in cytidine⋅⋅⋅H+⋅⋅⋅cytidine DNA base pairs},
  year={2012},
  pages={4067-4070},
  language={eng},
  issn={1521-3773},
  volume={51},
  number={17},
  note={Im Titel ist das Zeichen + hochgestellt ; Gesehen am 18.12.2017},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201200549},
}
@article{UBHD-68585942,
  author={List, Nanna H. and Dempwolff, Adrian and Dreuw, Andreas and Norman, Patrick and Martínez, Todd J.},
  title={Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy},
  year={2020},
  pages={4180-4193},
  language={eng},
  issn={2041-6539},
  volume={11},
  number={16},
  note={Gesehen am 10.06.2020},
  journal={Chemical science},
  doi={10.1039/D0SC00840K},
}
@article{UBHD-68202932,
  author={Liu, Wenlan and Dreuw, Andreas},
  title={Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates},
  year={2011},
  pages={1971-1981},
  language={eng},
  issn={1096-987X},
  volume={32},
  number={9},
  note={Gesehen am 18.12.2017},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.21781},
}
@book{UBHD-68997647,
  author={Maier, Steffen and Heckershoff, Robin and Wurm, Thomas and Biegger, Philipp and Br{\"o}dner, Kerstin and Kr{\"a}mer, Petra and Hoffmann, Marvin and Eberle, Lukas and Stein, Jana and Rominger, Frank and Rudolph, Matthias and Freudenberg, Jan and Dreuw, Andreas and Hashmi, A. Stephen K. and Bunz, Uwe H. F.},
  title={Cyclopentannulated dihydrotetraazapentacenes [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2022},
  pages={1 Online-Ressource (1 File)},
  language={eng},
  note={Gesehen am 15.12.2022},
  doi={10.11588/data/PZGMSS},
  url={https://doi.org/10.11588/data/PZGMSS},
  library={UB},
}
@article{UBHD-68994826,
  author={Maier, Steffen and Jester, Fabian and Hoffmann, Marvin and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={A stable hexaazaoctacene cruciform σ-dimer},
  subtitle={dedicated to Professor Klaus M{\"u}llen on the occasion of his 75th birthday},
  year={2022},
  pages={1-6},
  language={eng},
  issn={2198-3844},
  volume={9},
  note={Online ver{\"o}ffentlicht am 27. Juli 2022 ; Gesehen am 08.12.2022},
  journal={Advanced science},
  doi={10.1002/advs.202202710},
  url={https://doi.org/10.1002/advs.202202710},
  library={UB},
}
@article{UBHD-68195721,
  author={Ma, Jiani and Mewes, Jan-Michael and Dreuw, Andreas},
  title={Unravelling the early photochemical behavior of (8-substituted-7-hydroxyquinolinyl)methyl acetates through electronic structure theory and ultrafast transient absorption spectroscopy},
  year={2017},
  pages={1089-1096},
  language={eng},
  issn={1463-9084},
  volume={19},
  number={2},
  note={First published on 30 Nov 2016 ; Gesehen am 29.11.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C6CP05499D},
}
@article{UBHD-68904403,
  author={Menduti, Luigi and Baldoli, Clara and Arnaboldi, Serena and Dreuw, Andreas and Tahaoglu, Duygu and Bossi, Alberto and Licandro, Emanuela},
  title={(Dimesityl)boron benzodithiophenes},
  subtitle={synthesis, electrochemical, photophysical and theoretical characterization},
  year={2022},
  pages={1-11},
  language={eng},
  issn={2191-1363},
  volume={11},
  note={Gesehen am 06.04.2022},
  journal={ChemistryOpen},
  doi={10.1002/open.202100265},
}
@article{UBHD-68199930,
  author={Menning, Sebastian and Kr{\"a}mer, Maximilian and Rominger, Frank and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Bridged tolanes},
  subtitle={a twisted tale},
  year={2014},
  pages={6571-6578},
  language={eng},
  issn={1520-6904},
  volume={79},
  number={14},
  note={Gesehen am 11.12.2017},
  journal={The journal of organic chemistry},
  doi={10.1021/jo5010235},
}
@article{UBHD-68201836,
  author={Menning, Sebastian and Kr{\"a}mer, Maximilian and Rominger, Frank and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Twisted tethered tolanes},
  subtitle={unanticipated long-lived phosphorescence at 77 K},
  year={2013},
  pages={2160-2163},
  language={eng},
  issn={1520-5126},
  volume={135},
  number={6},
  note={Gesehen am 14.12.2017},
  journal={Journal of the American Chemical Society},
  doi={10.1021/ja400416r},
}
@article{UBHD-68201337,
  author={Mewes, Jan-Michael and Dreuw, Andreas},
  title={Combined theoretical and experimental investigation of the photodecarboxylation of nitrophenylacetates and its implications for the design of improved ortho-nitrobenzylic caging groups},
  year={2012},
  pages={11846-11862},
  language={eng},
  issn={1520-5215},
  volume={116},
  number={48},
  note={Gesehen am 13.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/jp3071629},
}
@article{UBHD-68200211,
  author={Mewes, Jan-Michael and Wormit, Michael and Kriesche, Thomas and Dreuw, Andreas},
  title={Experimental benchmark data and systematic evaluation of two a posteriori, polarizable-continuum corrections for vertical excitation energies in solution},
  year={2015},
  pages={5446-5464},
  language={eng},
  issn={1520-5215},
  volume={119},
  number={21},
  note={Gesehen am 08.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/jp511163y},
}
@article{UBHD-68201848,
  author={Mewes, Jan-Michael and Dreuw, Andreas},
  title={Molecular mechanism of uncaging CO2 from nitrophenylacetate provides general guidelines for improved ortho-nitrobenzyl cages},
  year={2011},
  pages={2077-2080},
  language={eng},
  issn={1439-7641},
  volume={12},
  number={11},
  note={Gesehen am 14.12.2017},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201100322},
}
@article{UBHD-68195730,
  author={Mewes, Jan-Michael and Dreuw, Andreas},
  title={On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground- and excited states in solution},
  year={2017},
  pages={1644-1654},
  language={eng},
  issn={1463-9084},
  volume={19},
  number={2},
  note={First published on 30 Nov 2016 ; Gesehen am 29.11.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C6CP05986D},
}
@article{UBHD-68201849,
  author={Mewes, Jan-Michael and Dreuw, Andreas},
  title={On the molecular mechanism of non-radiative decay of nitrobenzene and the unforeseen challenges this simple molecule holds for electronic structure theory},
  year={2014},
  pages={12393-12406},
  language={eng},
  issn={1463-9084},
  volume={16},
  number={24},
  note={Gesehen am 14.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C4CP01232A},
}
@article{UBHD-68201856,
  author={Mewes, Jan-Michael and Dreuw, Andreas},
  title={On the role of singlet versus triplet excited states in the uncaging of ortho-nitrobenzyl caged compounds},
  year={2013},
  pages={6691-6698},
  language={eng},
  issn={1463-9084},
  volume={15},
  number={18},
  note={Gesehen am 14.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C3CP44338H},
}
@article{UBHD-68562939,
  author={Mewes, Stefanie and Plasser, Felix and Krylov, Anna and Dreuw, Andreas},
  title={Benchmarking excited-state calculations using exciton properties},
  year={2018},
  pages={710-725},
  language={eng},
  issn={1549-9626},
  volume={14},
  number={2},
  note={Gesehen am 08.04.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.7b01145},
}
@article{UBHD-68394013,
  author={Mewes, Stefanie and Dreuw, Andreas},
  title={Density-based descriptors and exciton analyses for visualizing and understanding the electronic structure of excited states},
  year={2019},
  pages={2843-2856},
  language={eng},
  issn={1463-9084},
  volume={21},
  number={6},
  note={Gesehen am 29.05.2019},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C8CP07191H},
}
@article{UBHD-68198768,
  author={Mewes, Stefanie and Plasser, Felix and Dreuw, Andreas},
  title={Exciton analysis in time-dependent density functional theory},
  subtitle={how functionals shape excited-state characters},
  year={2015},
  language={eng},
  issn={1089-7690},
  volume={143(2015},
  note={Gesehen am 06.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4935178},
}
@article{UBHD-68202329,
  author={Mewes, Stefanie and Plasser, Felix and Wormit, Michael and Dreuw, Andreas},
  title={Exciton analysis of many-body wave functions},
  subtitle={bridging the gap between the quasiparticle and molecular orbital pictures},
  year={2014},
  pages={12 S.},
  language={eng},
  issn={1094-1622},
  volume={90(2014},
  note={Gesehen am 15.12.2017},
  journal={Physical review},
  doi={10.1103/PhysRevA.90.052521},
}
@article{UBHD-68198136,
  author={Mewes, Stefanie and Mewes, Jan-Michael and Dreuw, Andreas},
  title={Excitons in poly(para phenylene vinylene)},
  subtitle={a quantum-chemical perspective based on high-level ab initio calculations},
  year={2016},
  pages={2548-2563},
  language={eng},
  issn={1463-9084},
  volume={18},
  number={4},
  note={First published on 11 Dec 2015 ; Gesehen am 05.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C5CP07077E},
}
@article{UBHD-68196079,
  author={Mewes, Stefanie and Plasser, Felix and Dreuw, Andreas},
  title={Universal exciton size in organic polymers is determined by nonlocal orbital exchange in time-dependent density functional theory},
  year={2017},
  pages={1205-1210},
  language={eng},
  issn={1948-7185},
  volume={8},
  number={6},
  note={Gesehen am 30.11.2017},
  journal={The journal of physical chemistry letters},
  doi={10.1021/acs.jpclett.7b00157},
}
@conference{UBHD-68198753,
  author={Meyer, Kristina and Mewes, Jan-Michael and Dreuw, Andreas and Buckup, Tiago and Motzkus, Marcus},
  title={Excited-state phase control in strong laser fields},
  subtitle={from fundamental to complex systems},
  year={2016},
  language={eng},
  isbn={978-1-943580-18-7},
  note={From the session HHG & Strong Laser Fields (UF2A) ; Gesehen am 06.12.2017},
  doi={10.1364/UP.2016.UF2A.4},
}
@article{UBHD-67918785,
  author={Meyer, Kristina and Mewes, Jan-Michael and Dreuw, Andreas and Buckup, Tiago and Motzkus, Marcus},
  title={Signatures and control of strong-field dynamics in a complex system},
  year={2015},
  pages={15613-15618},
  language={eng},
  issn={1091-6490},
  volume={112},
  number={51},
  note={Gesehen am 11.08.2017},
  journal={Proceedings of the National Academy of Sciences of the United States of America},
  doi={10.1073/pnas.1509201112},
}
@article{UBHD-68966706,
  author={Michalsky, Ina and Gensch, Viktoria and Walla, Christian and Hoffmann, Marvin and Rominger, Frank and Oeser, Thomas and Tegeder, Petra and Dreuw, Andreas and Kivala, Milan},
  title={Fully bridged triphenylamines comprising five- and seven-membered rings},
  year={2022},
  pages={1-6},
  language={eng},
  issn={1521-3765},
  volume={28},
  note={First published: 16 March 2022 ; Gesehen am 22.09.2022},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202200326},
  url={https://doi.org/10.1002/chem.202200326},
  library={UB},
}
@article{UBHD-68200199,
  author={Miteva, Tsveta and Wenzel, Jan and Klaiman, Shachar and Dreuw, Andreas and Gokhberg, Kirill},
  title={X-Ray absorption spectra of microsolvated metal cations},
  year={2016},
  pages={16671-16681},
  language={eng},
  issn={1463-9084},
  volume={18},
  number={25},
  note={Gesehen am 08.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C6CP02606K},
}
@article{UBHD-68434099,
  author={Modha, Sachin G. and Dreuw, Andreas},
  title={[6π] photocyclization to cis-hexahydrocarbazol-4-ones},
  subtitle={substrate modification, mechanism, and scope},
  year={2019},
  pages={1139-1153},
  language={eng},
  issn={1520-6904},
  volume={84},
  number={3},
  note={Im Text wird pi als griechischer Buchstabe dargestellt ; Gesehen am 20.11.2019},
  journal={The journal of organic chemistry},
  doi={10.1021/acs.joc.8b03144},
}
@article{UBHD-68475284,
  author={M{\"u}ller, Stefan and L{\"u}ttig, Julian and Malý, Pavel and Ji, Lei and Han, Jie and Moos, Michael and Marder, Todd B. and Bunz, Uwe H. F. and Dreuw, Andreas and Lambert, Christoph and Brixner, Tobias},
  title={Rapid multiple-quantum three-dimensional fluorescence spectroscopy disentangles quantum pathways},
  year={2019},
  pages={11 S.},
  language={eng},
  issn={2041-1723},
  volume={10(2019) Article number: 4735},
  number={11 Seiten},
  note={Gesehen am 14.01.2020},
  journal={Nature Communications},
  doi={10.1038/s41467-019-12602-x},
}
@article{UBHD-68275353,
  author={Mulks, Florian and Faraji, Shirin and Rominger, Frank and Dreuw, Andreas and Hashmi, A. Stephen K.},
  title={Highly strained organogold complexes and their gold- or rhodium-catalyzed isomerizations},
  year={2018},
  pages={71-76},
  language={eng},
  issn={1521-3765},
  volume={24},
  number={1},
  note={First published: 04 October 2017 ; Gesehen am 28.06.2018},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201704652},
}
@article{UBHD-68200201,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={Advances in quantum mechanochemistry},
  subtitle={electronic structure methods and force analysis},
  year={2016},
  pages={14137-14180},
  language={eng},
  issn={1520-6890},
  volume={116},
  number={22},
  note={Gesehen am 08.12.2017},
  journal={Chemical reviews},
  doi={10.1021/acs.chemrev.6b00458},
}
@article{UBHD-68200208,
  author={Neudecker, Tim and G{\"u}nther, Benjamin and Dreuw, Andreas},
  title={Can strained hydrocarbons be “forced” to be stable?},
  year={2016},
  pages={7198-7204},
  language={eng},
  issn={1520-5215},
  volume={120},
  number={36},
  note={Gesehen am 08.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.6b05461},
}
@article{UBHD-68304972,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={Force-induced retro-click reaction of triazoles competes with adjacent single-bond rupture},
  year={2017},
  pages={5567-5575},
  language={eng},
  issn={2041-6539},
  volume={8},
  number={8},
  note={Gesehen am 14.09.2018},
  journal={Chemical science},
  doi={10.1039/C7SC01562C},
}
@article{UBHD-68202338,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={Force-spectrum relations for molecular optical force probes},
  year={2014},
  pages={2759-2761},
  language={eng},
  issn={1521-3773},
  volume={53},
  number={10},
  note={Gesehen am 15.12.2017},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201309794},
}
@article{UBHD-68199216,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={Knots “choke off” polymers upon stretching},
  year={2016},
  pages={811-814},
  language={eng},
  issn={1521-3773},
  volume={55},
  number={2},
  note={First published: 2 December 2015 ; Gesehen am 07.12.2017},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201508706},
}
@article{UBHD-68199961,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={On the use of different coordinate systems in mechanochemical force analyses},
  year={2015},
  language={eng},
  issn={1089-7690},
  volume={143(2015},
  note={Gesehen am 11.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4928973},
}
@article{UBHD-68196085,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={Predicting the efficiency of photoswitches using force analysis},
  year={2016},
  pages={1298-1302},
  language={eng},
  issn={1948-7185},
  volume={7},
  number={7},
  note={Gesehen am 30.11.2017},
  journal={The journal of physical chemistry letters},
  doi={10.1021/acs.jpclett.6b00455},
}
@article{UBHD-68202316,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={A quantitative quantum-chemical analysis tool for the distribution of mechanical force in molecules},
  year={2014},
  language={eng},
  issn={1089-7690},
  volume={140(2014},
  note={Gesehen am 15.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4870334},
}
@article{UBHD-68197488,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={Quantum chemical strain analysis for mechanochemical processes},
  year={2017},
  pages={1041-1048},
  language={eng},
  issn={1520-4898},
  volume={50},
  number={4},
  note={Gesehen am 04.12.2017},
  journal={Accounts of chemical research},
  doi={10.1021/acs.accounts.7b00038},
}
@article{UBHD-68198110,
  author={Neudecker, Tim and Scholtes, Jan Felix and Dreuw, Andreas},
  title={Rational design of improved dienophiles for in vivo tetrazine-trans-cyclooctene ligation},
  year={2016},
  pages={6-8},
  language={eng},
  volume={654},
  number={Supplement C},
  note={Gesehen am 05.12.2017},
  journal={Chemical physics letters},
  doi={10.1016/j.cplett.2016.04.044},
}
@article{UBHD-68199919,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={Response to comment on T. Stauch, A. Dreuw, “Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating”, Phys. Chem. Chem. Phys., 2016, 18, 15848},
  year={2016},
  pages={26994-26997},
  language={eng},
  issn={1463-9084},
  volume={18},
  number={38},
  note={Gesehen am 08.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C6CP05876K},
}
@article{UBHD-68199232,
  author={Neudecker, Tim and Hoffmann, Marvin and Dreuw, Andreas},
  title={Spectroscopic monitoring of mechanical forces during protein folding by using molecular force probes},
  year={2016},
  pages={1486-1492},
  language={eng},
  issn={1439-7641},
  volume={17},
  number={10},
  note={Gesehen am 07.12.2017},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201600016},
}
@article{UBHD-68200190,
  author={Neudecker, Tim and Dreuw, Andreas},
  title={Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating},
  year={2016},
  pages={15848-15853},
  language={eng},
  issn={1463-9084},
  volume={18},
  number={23},
  note={Gesehen am 08.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C6CP02395A},
}
@article{UBHD-68201857,
  author={Neumann, Karsten and Mewes, Jan-Michael and Dreuw, Andreas},
  title={Investigating the CO2 uncaging mechanism of nitrophenylacetates by means of fs-IR spectroscopy and quantum chemical calculations},
  year={2011},
  pages={17367-17377},
  language={eng},
  issn={1463-9084},
  volume={13},
  number={38},
  note={Im Titel erscheint die Ziffer 2 tiefgestellt. ; Gesehen am 14.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C1CP21721F},
}
@article{UBHD-68497368,
  author={Nikoobakht, Behnam and Dreuw, Andreas and K{\"o}ppel, Horst},
  title={An ab initio quantum dynamical analysis of the vibronic structure of the X2Bg photoelectron spectral band of s-trans-1, 3-butadiene},
  year={2018},
  pages={654-662},
  language={eng},
  volume={515},
  note={Gesehen am 06.03.2020 ; Im Haupttitel ist bei "X2Bg" die "2" hochgestellt und das "g" tiefgestellt},
  journal={Chemical physics},
  doi={10.1016/j.chemphys.2018.07.024},
}
@article{UBHD-68446653,
  author={Nikoobakht, Behnam and Dreuw, Andreas and K{\"o}ppel, Horst},
  title={Excited state dynamics of the s-trans-1, 3-butadiene cation},
  subtitle={an ab initio quantum dynamical analysis},
  year={2019},
  pages={12 S.},
  language={eng},
  issn={1089-7690},
  volume={151(2019},
  note={Gesehen am 28.10.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5108610},
}
@article{UBHD-68485748,
  author={Norman, Patrick and Dreuw, Andreas},
  title={Simulating X-ray spectroscopies and calculating core-excited states of molecules},
  year={2018},
  pages={7208-7248},
  language={eng},
  issn={1520-6890},
  volume={118},
  number={15},
  note={Gesehen am 06.02.2020},
  journal={Chemical reviews},
  doi={10.1021/acs.chemrev.8b00156},
}
@article{UBHD-69318113,
  author={Oberhof, Nils and Hillers-Bendtsen, Andreas Erbs and Obel, Oscar Berlin and Schjelde, Karoline and Mikkelsen, Kurt V. and Dreuw, Andreas},
  title={Searching the chemical space of hetero-atom bridged norbornadienes},
  year={2025},
  pages={96-102},
  language={eng},
  issn={1463-9084},
  volume={27},
  number={1},
  note={Zuerst ver{\"o}ffentlicht: 2. Dezember 2024 ; Gesehen am 13.03.2025},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/D4CP04179H},
}
@article{UBHD-68749291,
  author={Opata, Michael Rogo and Dreuw, Andreas},
  title={Embelin’s versatile photochemistry makes it a potent photosensitizer for photodynamic therapy},
  year={2021},
  pages={3527-3537},
  language={eng},
  issn={1520-5207},
  volume={125},
  number={14},
  note={Gesehen am 16.06.2021},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcb.1c00330},
}
@article{UBHD-68556805,
  author={Orms, Natalie and Rehn, Dirk R. and Dreuw, Andreas and Krylov, Anna I.},
  title={Characterizing bonding patterns in diradicals and triradicals by density-based wave function analysis},
  subtitle={a uniform approach},
  year={2018},
  pages={638-648},
  language={eng},
  issn={1549-9626},
  volume={14},
  number={2},
  note={Published: December 21, 2017 ; Gesehen am 24.03.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.7b01012},
}
@article{UBHD-68195166,
  author={Osiak, Jaroslaw and Dreuw, Andreas},
  title={Twist it!},
  subtitle={The acid-dependent isomerization of homoleptic carbenic iridium(III) complexes},
  year={2017},
  pages={3295-3298},
  language={eng},
  issn={1364-548X},
  volume={53},
  number={23},
  note={Gesehen am 28.11.2017},
  journal={Chemical communications},
  doi={10.1039/C7CC00697G},
}
@article{UBHD-69131716,
  author={Papapostolou, Antonia and Scheurer, Maximilian and Dreuw, Andreas and Rehn, Dirk R.},
  title={Responsefun},
  subtitle={fun with response functions in the algebraic diagrammatic construction framework},
  year={2023},
  pages={6375-6391},
  language={eng},
  issn={1549-9626},
  volume={19},
  number={18},
  note={Gesehen am 19.10.2023},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.3c00456},
}
@article{UBHD-68488444,
  author={Paul, Nicholas and Jiang, Man and Pérez Lustres, José Luis and Li, Yang and Wollscheid, Nikolaus and Buckup, Tiago and Dreuw, Andreas and Hampp, Norbert and Motzkus, Marcus},
  title={Substituting Coumarins for Quinolinones},
  subtitle={altering the cycloreversion potential energy landscape},
  year={2018},
  pages={7587-7597},
  language={eng},
  issn={1520-5215},
  volume={122},
  number={38},
  note={Gesehen am 11.02.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.8b07186},
}
@article{UBHD-68201329,
  author={Plasser, Felix and Mewes, Stefanie and Dreuw, Andreas},
  title={Detailed wave function analysis for multireference methods},
  subtitle={implementation in the Molcas program package and applications to tetracene},
  year={2017},
  pages={5343-5353},
  language={eng},
  issn={1549-9626},
  volume={13},
  number={11},
  note={Gesehen am 13.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.7b00718},
}
@article{UBHD-68199922,
  author={Plasser, Felix and Dreuw, Andreas},
  title={High-level ab initio computations of the absorption spectra of organic iridium complexes},
  year={2015},
  pages={1023-1036},
  language={eng},
  issn={1520-5215},
  volume={119},
  number={6},
  note={Gesehen am 08.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/jp5122917},
}
@article{UBHD-67747310,
  author={Plasser, Felix and Wormit, Michael and Dreuw, Andreas},
  title={New tools for the systematic analysis and visualization of electronic excitations},
  subtitle={I. Formalism},
  year={2014},
  pages={024106/1-024106/13},
  language={eng},
  issn={0021-9606},
  volume={141},
  journal={The journal of chemical physics},
}
@article{UBHD-67747314,
  author={Plasser, Felix and Mewes, Stefanie and Wormit, Michael and Dreuw, Andreas},
  title={New tools for the systematic analysis and visualization of electronic excitations},
  subtitle={II. Applications},
  year={2014},
  pages={024107/1-024107/12},
  language={eng},
  issn={0021-9606},
  volume={141},
  journal={The journal of chemical physics},
}
@article{UBHD-68199966,
  author={Plasser, Felix and Wormit, Michael and Dreuw, Andreas},
  title={New tools for the systematic analysis and visualization of electronic excitations},
  subtitle={I. Formalism},
  year={2014},
  language={eng},
  issn={1089-7690},
  volume={141(2014},
  note={Gesehen am 11.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4885819},
}
@article{UBHD-68199967,
  author={Plasser, Felix and Mewes, Stefanie and Wormit, Michael and Dreuw, Andreas},
  title={New tools for the systematic analysis and visualization of electronic excitations},
  subtitle={II. Applications},
  year={2014},
  language={eng},
  issn={1089-7690},
  volume={141(2014},
  note={Gesehen am 11.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4885820},
}
@article{UBHD-68200725,
  author={Plasser, Felix and Thomitzni, Benjamin and Mewes, Stefanie and Wenzel, Jan and Rehn, Dirk R. and Wormit, Michael and Dreuw, Andreas},
  title={Statistical analysis of electronic excitation processes},
  subtitle={spatial location, compactness, charge transfer, and electron-hole correlation},
  year={2015},
  pages={1609-1620},
  language={eng},
  issn={1096-987X},
  volume={36},
  number={21},
  note={Gesehen am 12.12.2017},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.23975},
}
@article{UBHD-68198771,
  author={Powis, Ivan and Schneider, Matthias and Dreuw, Andreas},
  title={The influence of the bromine atom Cooper minimum on the photoelectron angular distributions and branching ratios of the four outermost bands of bromobenzene},
  year={2015},
  pages={13 S.},
  language={eng},
  issn={1089-7690},
  volume={143(2015},
  note={Gesehen am 06.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4931642},
}
@article{UBHD-68198762,
  author={Prager, Stefan and Dreuw, Andreas},
  title={First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order},
  year={2016},
  language={eng},
  issn={1089-7690},
  volume={144(2016},
  note={Gesehen am 06.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4948741},
}
@article{UBHD-68201332,
  author={Prager, Stefan and Dreuw, Andreas},
  title={Implementation and application of the frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator up to third order},
  year={2017},
  pages={4711-4725},
  language={eng},
  issn={1549-9626},
  volume={13},
  number={10},
  note={Gesehen am 13.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.7b00461},
}
@article{UBHD-68200213,
  author={Prager, Stefan and Burghardt, Irene and Dreuw, Andreas},
  title={Ultrafast CSpiro-O dissociation via a conical intersection drives spiropyran to merocyanine photoswitching},
  year={2014},
  pages={1339-1349},
  language={eng},
  issn={1520-5215},
  volume={118},
  number={8},
  note={Im Titel ist "Spiro" tiefgestellt ; Gesehen am 08.12.2017},
  journal={The journal of physical chemistry},
  doi={10.1021/jp4088942},
}
@article{UBHD-68578293,
  author={Pusch, Stefan and Lefrancois, Daniel and Dreuw, Andreas},
  title={Mechanism and cis/trans Selectivity of Vinylogous Nazarov-type [6π] Photocyclizations},
  year={2018},
  pages={964-972},
  language={eng},
  issn={1520-6904},
  volume={83},
  number={2},
  note={Published: December 22, 2017 ; Gesehen am 15.05.2020},
  journal={The journal of organic chemistry},
  doi={10.1021/acs.joc.7b02982},
}
@article{UBHD-68563397,
  author={Rao, Vaishnavi J. and Matthiesen, Maik and Goetz, Katelyn and Huck, Christian and Yim, Chanyoung and Siris, Rita and Han, Jie and Hahn, Sebastian and Bunz, Uwe H. F. and Dreuw, Andreas and Duesberg, Georg S. and Pucci, Annemarie and Zaumseil, Jana},
  title={AFM-IR and IR-SNOM for the characterization of small molecule organic semiconductors},
  year={2020},
  pages={5331-5344},
  language={eng},
  issn={1932-7455},
  volume={124},
  number={9},
  note={Gesehen am 09.04.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.9b11056},
}
@article{UBHD-68465756,
  author={Rehn, Dirk R. and Dreuw, Andreas},
  title={Analytic nuclear gradients of the algebraic-diagrammatic construction scheme for the polarization propagator up to third order of perturbation theory},
  year={2019},
  pages={17 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  note={Gesehen am 10.12.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5085117},
}
@article{UBHD-68201331,
  author={Rehn, Dirk R. and Dreuw, Andreas},
  title={Resonant inelastic X-ray scattering amplitudes and cross sections in the algebraic diagrammatic construction/intermediate state representation (ADC/ISR) approach},
  year={2017},
  pages={5552-5559},
  language={eng},
  issn={1549-9626},
  volume={13},
  number={11},
  note={Gesehen am 13.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.7b00636},
}
@article{UBHD-69313251,
  author={Rehn, Dirk R. and Fink, Andreas and Dempwolff, Adrian and Dreuw, Andreas},
  title={Analytical gradients for electron-attached and ionized states for the algebraic-diagrammatic construction scheme for the electron propagator up to third order},
  year={2024},
  pages={8795-8802},
  language={eng},
  issn={1520-5215},
  volume={128},
  note={Gesehen am 27.02.2025},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.4c04435},
}
@article{UBHD-69066003,
  author={Rehn, Dirk R. and Rinkevicius, Zilvinas and Herbst, Michael F. and Li, Xin and Scheurer, Maximilian and Brand, Manuel and Dempwolff, Adrian and Brumboiu, Iulia E. and Fransson, Thomas and Dreuw, Andreas and Norman, Patrick},
  title={Gator},
  subtitle={a Python-driven program for spectroscopy simulations using correlated wave functions},
  year={2021},
  pages={1-12},
  language={eng},
  issn={1759-0884},
  volume={11},
  note={Gesehen am 17.04.2023},
  journal={Wiley interdisciplinary reviews},
  doi={10.1002/wcms.1528},
  url={https://doi.org/10.1002/wcms.1528},
  library={UB},
}
@article{UBHD-68481009,
  author={Reiß, Hilmar and Han, Jie and Koser, Silke and Tverskoy, Olena and Freudenberg, Jan and Hinkel, Felix Peter and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Bromination improves the electron mobility of Tetraazapentacene},
  year={2018},
  pages={9543-9547},
  language={eng},
  issn={1521-3773},
  volume={57},
  number={30},
  note={Gesehen am 27.01.2020},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201805728},
}
@article{UBHD-69156095,
  author={Remme, Roman and Kaczun, Tobias and Scheurer, Maximilian and Dreuw, Andreas and Hamprecht, Fred},
  title={KineticNet},
  subtitle={deep learning a transferable kinetic energy functional for orbital-free density functional theory},
  year={2023},
  pages={14 S.},
  language={eng},
  issn={1089-7690},
  volume={159},
  note={Gesehen am 22.12.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0158275},
}
@article{UBHD-68976682,
  author={Sacchetta, Filippo and Graf, Daniel and Laqua, Henryk Sebastian and Ambroise, Maximilien and Kußmann, J{\"o}rg and Dreuw, Andreas and Ochsenfeld, Christian},
  title={An effective sub-quadratic scaling atomic-orbital reformulation of the scaled opposite-spin RI-CC2 ground-state model using Cholesky-decomposed densities and an attenuated Coulomb metric},
  year={2022},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={157},
  note={Gesehen am 20.10.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0098719},
}
@article{UBHD-69262183,
  author={Saßmannshausen, Torben and Kunz, Anne and Oberhof, Nils and Schneider, Friederike and Slavov, Chavdar and Dreuw, Andreas and Wachtveitl, Josef and Wegner, Hermann A.},
  title={Wavelength selective photocontrol of hybrid azobenzene-spiropyran photoswitches with overlapping chromophores},
  year={2024},
  pages={1-9},
  language={eng},
  issn={1521-3773},
  volume={63},
  note={Online ver{\"o}ffentlicht: 07. Dezember 2023 ; Gesehen am 14.10.2024},
  journal={Angewandte Chemie},
  doi={10.1002/anie.202314112},
}
@article{UBHD-68201261,
  author={Schelkle, Korwin and Becht, Steffy and Faraji, Shirin and Petzoldt, Martin and Buckup, Tiago and Dreuw, Andreas and Motzkus, Marcus and Hamburger, Manuel},
  title={Emission turn-on and solubility turn-off in conjugated polymers},
  subtitle={one- and two-photon-induced removal of fluorescence-quenching solubilizing groups},
  year={2015},
  pages={31-37},
  language={eng},
  issn={1521-3927},
  volume={36},
  number={1},
  note={First published: 29 November 2014 ; Gesehen am 13.12.2017},
  journal={Macromolecular rapid communications},
  doi={10.1002/marc.201400562},
}
@article{UBHD-68646197,
  author={Scheurer, Maximilian and Fransson, Thomas and Norman, Patrick and Dreuw, Andreas and Rehn, Dirk R.},
  title={Complex excited state polarizabilities in the ADC/ISR framework},
  year={2020},
  pages={12 S.},
  language={eng},
  issn={1089-7690},
  volume={153(2020},
  note={Gesehen am 08.10.2020},
  journal={The journal of chemical physics},
  doi={10.1063/5.0012120},
}
@article{UBHD-68481953,
  author={Scheurer, Maximilian and Dreuw, Andreas},
  title={CPPE},
  subtitle={an open-source C++ and Python library for Polarizable Embedding},
  year={2019},
  pages={6154-6163},
  language={eng},
  issn={1549-9626},
  volume={15},
  number={11},
  note={Gesehen am 29.01.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.9b00758},
}
@article{UBHD-68763909,
  author={Scheurer, Maximilian and Reinholdt, Peter and Olsen, Jógvan Magnus Haugaard and Dreuw, Andreas and Kongsted, Jacob},
  title={Efficient open-source implementations of linear-scaling polarizable embedding},
  subtitle={use octrees to save the trees},
  year={2021},
  pages={3445-3454},
  language={eng},
  issn={1549-9626},
  volume={17},
  number={6},
  note={Published online 5 May 2021 ; Published in issue 8 June 2021 ; Gesehen am 27.07.2021},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.1c00225},
}
@article{UBHD-68711911,
  author={Scheurer, Maximilian and Dreuw, Andreas and Epifanovsky, Evgeny and Head-Gordon, Martin and Neudecker, Tim},
  title={Modeling molecules under pressure with gaussian potentials},
  year={2021},
  pages={583-597},
  language={eng},
  issn={1549-9626},
  volume={17},
  number={1},
  note={Publication date: December 22, 2020 ; Gesehen am 26.11.2021},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.0c01212},
}
@article{UBHD-68248867,
  author={Scheurer, Maximilian and Brisker-Klaiman, Daria and Dreuw, Andreas},
  title={Molecular mechanism of flavin photoprotection by archaeal dodecin},
  subtitle={photoinduced electron transfer and Mg2+-promoted proton transfer},
  year={2017},
  pages={10457-10466},
  language={eng},
  issn={1520-5207},
  volume={121},
  number={46},
  note={Gesehen am 03.05.2018 ; Im Titel ist "2+" hochgestellt},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcb.7b08597},
}
@article{UBHD-68402225,
  author={Scheurer, Maximilian and Herbst, Michael F. and Dreuw, Andreas},
  title={Polarizable embedding combined with the algebraic diagrammatic construction},
  subtitle={tackling excited states in biomolecular systems},
  year={2018},
  pages={4870-7883},
  language={eng},
  issn={1549-9626},
  volume={14},
  number={9},
  note={Published: August 7, 2018 ; Gesehen am 27.06.2019},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.8b00576},
}
@article{UBHD-68626395,
  author={Scheurer, Maximilian and Dreuw, Andreas and Head-Gordon, Martin and Neudecker, Tim},
  title={The rupture mechanism of rubredoxin is more complex than previously thought},
  year={2020},
  pages={6036-6044},
  language={eng},
  issn={2041-6539},
  volume={11},
  number={23},
  note={Gesehen am 11.08.2020},
  journal={Chemical science},
  doi={10.1039/D0SC02164D},
}
@article{UBHD-68198760,
  author={Schmidt, Norman Anja and Wenzel, Jan and Dreuw, Andreas},
  title={Matrix effects in the C 1s photoabsorption spectra of condensed naphthalene},
  year={2016},
  language={eng},
  issn={1089-7690},
  volume={145(2016},
  note={Gesehen am 06.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4972013},
}
@article{UBHD-69214176,
  author={Schmitt, Tanja and Huck, Christian and Oberhof, Nils and Hsu, Li-Yun and Blasco, Eva and Dreuw, Andreas and Tegeder, Petra},
  title={Characteristics and long-term kinetics of an azobenzene derivative and a donor-acceptor Stenhouse adduct as orthogonal photoswitches},
  year={2024},
  pages={7190-7202},
  language={eng},
  issn={1463-9084},
  volume={26},
  number={8 vom: Feb.},
  note={Gesehen am 15.05.2024},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/D3CP05786K},
}
@article{UBHD-69153294,
  author={Schneider, Friederike and Papapostolou, Antonia and Leitner, Jonas and Rehn, Dirk R. and Dreuw, Andreas},
  title={Cotton-Mouton effect using algebraic diagrammatic construction schemes in the intermediate state representation formalism},
  year={2023},
  pages={8723-8733},
  language={eng},
  issn={1520-5215},
  volume={127},
  number={41 vom: Okt.},
  note={Online ver{\"o}ffentlicht: 10. Oktober 2023 ; Gesehen am 15.12.2023},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.3c04963},
}
@article{UBHD-68199958,
  author={Schneider, Matthias and Wormit, Michael and Dreuw, Andreas},
  title={A fresh look at the photoelectron spectrum of bromobenzene},
  subtitle={a third-order non-Dyson electron propagator study},
  year={2015},
  pages={12 S.},
  language={eng},
  issn={1089-7690},
  volume={143(2015},
  note={Gesehen am 11.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4931643},
}
@article{UBHD-68766206,
  author={Scott, Mikael and Rehn, Dirk R. and Norman, Patrick and Dreuw, Andreas},
  title={Ab initio excited-state electronic circular dichroism spectra exploiting the third-order algebraic-diagrammatic construction scheme for the polarization propagator},
  year={2021},
  pages={5132-5137},
  language={eng},
  issn={1948-7185},
  volume={12},
  number={21 vom: 25. Mai},
  note={Published online 25 May 2021 ; Published in issue 3 June 2021 ; Gesehen am 02.08.2021},
  journal={The journal of physical chemistry letters},
  doi={10.1021/acs.jpclett.1c00839},
}
@article{UBHD-68723981,
  author={Scott, Mikael and Rehn, Dirk R. and Coriani, Sonia and Norman, Patrick and Dreuw, Andreas},
  title={Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order},
  year={2021},
  pages={1-17},
  language={eng},
  issn={1089-7690},
  volume={154},
  note={Gesehen am 22.07.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0038315},
}
@article{UBHD-68380775,
  author={Sen, Reena and Dreuw, Andreas and Faraji, Shirin},
  title={Algebraic diagrammatic construction for the polarisation propagator in combination with effective fragment potentials},
  year={2019},
  pages={3683-3694},
  language={eng},
  issn={1463-9084},
  volume={21},
  number={7},
  note={Gesehen am 16.04.2019},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C8CP06527F},
}
@article{UBHD-68770983,
  author={Sen, Reena and Gonzalez-Espinoza, Cristina E. and Zech, Alexander and Dreuw, Andreas and Wesolowski, Tomasz A.},
  title={Benchmark of the extension of frozen-density embedding theory to nonvariational correlated methods},
  subtitle={the embedded-MP2 case},
  year={2021},
  pages={4049-4062},
  language={eng},
  issn={1549-9626},
  volume={17},
  number={7},
  note={Gesehen am 16.08.2021},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.1c00228},
}
@article{UBHD-68434234,
  author={Setzer, Tobias and Friederich, Pascal and Meded, Velimir and Wenzel, Wolfgang and Lennartz, Christian and Dreuw, Andreas},
  title={Meltdown!},
  subtitle={Local heating by decaying excited host positive polarons triggers aggregation quenching in blue PhOLEDs},
  year={2018},
  pages={2961-2966},
  language={eng},
  issn={1439-7641},
  volume={19},
  number={21},
  note={Gesehen am 30.09.2019},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201800250},
}
@article{UBHD-68285377,
  author={Setzer, Tobias and Lennartz, Christian and Dreuw, Andreas},
  title={A theoretical study on the mechanistic highlights behind the Brønsted-acid dependent mer-fac isomerization of homoleptic carbenic iridium complexes for PhOLEDs},
  year={2017},
  pages={7194-7209},
  language={eng},
  issn={1477-9234 and 1364-5447},
  volume={46},
  number={22},
  note={Gesehen am 13.07.2018},
  journal={Dalton transactions},
  doi={10.1039/C7DT01201B},
}
@article{UBHD-68201292,
  author={Shao, Yihan and Wormit, Michael and Harbach, Philipp H. P. and Krauter, Caroline M. and Rehn, Dirk R. and Wenzel, Jan and Dreuw, Andreas},
  title={Advances in molecular quantum chemistry contained in the Q-Chem 4 program package},
  year={2015},
  pages={184-215},
  language={eng},
  issn={1362-3028},
  volume={113},
  number={2},
  note={Published online: 03 Sep 2014 ; Gesehen am 13.12.2017},
  journal={Molecular physics},
  doi={10.1080/00268976.2014.952696},
}
@article{UBHD-68198133,
  author={Slavov, Chavdar and Yang, Chong and Dreuw, Andreas},
  title={Connectivity matters},
  subtitle={ultrafast isomerization dynamics of bisazobenzene photoswitches},
  year={2016},
  pages={14795-14804},
  language={eng},
  issn={1463-9084},
  volume={18},
  number={22},
  note={Gesehen am 05.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C6CP00603E},
}
@article{UBHD-68397495,
  author={Slavov, Chavdar and Yang, Chong and Heindl, Andreas H. and Neudecker, Tim and Wegner, Hermann A. and Dreuw, Andreas and Wachtveitl, Josef},
  title={Twist and return-induced ring strain triggers quick relaxation of a (Z)-stabilized cyclobisazobenzene},
  year={2018},
  pages={4776-4781},
  language={eng},
  issn={1948-7185},
  volume={9},
  number={16},
  note={Gesehen am 07.06.2019},
  journal={The journal of physical chemistry letters},
  doi={10.1021/acs.jpclett.8b02159},
}
@article{UBHD-68199225,
  author={Slavov, Chavdar and Yang, Chong and Dreuw, Andreas},
  title={Ultrafast excited-state deactivation dynamics of cyclotrisazobenzene},
  subtitle={a novel type of UV-B absorber},
  year={2017},
  pages={2137-2141},
  language={eng},
  issn={1439-7641},
  volume={18},
  number={16},
  note={Gesehen am 07.12.2017},
  journal={ChemPhysChem},
  doi={10.1002/cphc.201700384},
}
@conference{UBHD-68198746,
  author={Slavov, Chavdar and Yang, Chong and Dreuw, Andreas},
  title={Ultrafast isomerization dynamics of bisazobenzenes},
  year={2016},
  language={eng},
  isbn={978-1-943580-18-7},
  note={From the session Dynamics of Molecular Systems (UTh3B) ; Gesehen am 06.12.2017},
  doi={10.1364/UP.2016.UTh3B.3},
}
@article{UBHD-68869618,
  author={Smith, Daniel G. A. and Lolinco, Annabelle T. and Glick, Zachary L. and Lee, Jiyoung and Alenaizan, Asem and Barnes, Taylor A. and Borca, Carlos H. and Di Remigio, Roberto and Dotson, David L. and Ehlert, Sebastian and Heide, Alexander G. and Herbst, Michael F. and Hermann, Jan and Hicks, Colton B. and Horton, Joshua T. and Hurtado, Adrian G. and Kraus, Peter and Kruse, Holger and Lee, Sebastian J. R. and Misiewicz, Jonathon P. and Naden, Levi N. and Ramezanghorbani, Farhad and Scheurer, Maximilian and Schriber, Jeffrey B. and Simmonett, Andrew C. and Steinmetzer, Johannes and Wagner, Jeffrey R. and Ward, Logan and Welborn, Matthew and Altarawy, Doaa and Anwar, Jamshed and Chodera, John D. and Dreuw, Andreas and Kulik, Heather J. and Liu, Fang and Martínez, Todd J. and Matthews, Devin A. and Schaefer, Henry F. and Šponer, Jiří and Turney, Justin M. and Wang, Lee-Ping and De Silva, Nuwan and King, Rollin A. and Stanton, John F. and Gordon, Mark S. and Windus, Theresa L. and Sherrill, C. David and Burns, Lori A.},
  title={Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine)},
  subtitle={Automation and interoperability among computational chemistry programs},
  year={2021},
  pages={1-23},
  language={eng},
  issn={1089-7690},
  volume={155},
  note={Gesehen am 21.01.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0059356},
}
@article{UBHD-68202933,
  author={Staudt, Heike and Dreuw, Andreas},
  title={Directed manipulation of a flavoprotein photocycle},
  year={2013},
  pages={8463-8466},
  language={eng},
  issn={1521-3773},
  volume={52},
  number={32},
  note={Gesehen am 18.12.2017},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201302334},
}
@article{UBHD-68739921,
  author={Thielen, Sebastian M. and Hodecker, Manuel and Piazolo, Julia and Rehn, Dirk R. and Dreuw, Andreas},
  title={Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra},
  year={2021},
  pages={1-8},
  language={eng},
  issn={1089-7690},
  volume={154},
  note={Gesehen am 20.05.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0047134},
}
@article{UBHD-68793284,
  author={Thusek, Jean and Hoffmann, Marvin and H{\"u}bner, Olaf and Germer, Stefan and Hoffmann, Hendrik and Freudenberg, Jan and Bunz, Uwe H. F. and Dreuw, Andreas and Himmel, Hans-J{\"o}rg},
  title={High-resolution electronic excitation and emission spectra of pentacene and 6,13-diazapentacene monomers and weakly bound dimers by matrix-isolation spectroscopy},
  year={2021},
  pages={2072-2081},
  language={eng},
  issn={1521-3765},
  volume={27},
  number={6},
  note={First published: 09 September 2020 ; Gesehen am 25.10.2021},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202003999},
  url={https://doi.org/10.1002/chem.202003999},
  library={UB},
}
@article{UBHD-68680959,
  author={Thusek, Jean and Hoffmann, Marvin and H{\"u}bner, Olaf and Tverskoy, Olena and Bunz, Uwe H. F. and Dreuw, Andreas and Himmel, Hans-J{\"o}rg},
  title={Low‐energy electronic excitations of N‐substituted heteroacene molecules},
  subtitle={matrix isolation spectroscopy in concert with quantum‐chemical calculations},
  year={2019},
  pages={15147-15154},
  language={eng},
  issn={1521-3765},
  volume={25},
  number={66},
  note={Gesehen am 18.01.2021},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201903371},
  url={https://doi.org/10.1002/chem.201903371},
  library={UB},
}
@article{UBHD-68201324,
  author={Tuna, Deniz and Lefrancois, Daniel and Dreuw, Andreas},
  title={Assessment of approximate coupled-cluster and algebraic-diagrammatic-construction methods for ground- and excited-state reaction paths and the conical-intersection seam of a retinal-chromophore model},
  year={2015},
  pages={5758-5781},
  language={eng},
  issn={1549-9626},
  volume={11},
  number={12},
  note={Gesehen am 13.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.5b00022},
}
@article{UBHD-68726184,
  author={Wang, Tao and Hoffmann, Marvin and Dreuw, Andreas and Hasagić, Edina and Hu, Chao and Stein, Philipp and Witzel, Sina and Shi, Hongwei and Yang, Yangyang and Rudolph, Matthias and Stuck, Fabian and Rominger, Frank and Kerscher, Marion and Comba, Peter and Hashmi, A. Stephen K.},
  title={A metal-free direct arene C-H amination},
  year={2021},
  pages={2783-2795},
  language={eng},
  issn={1615-4169},
  volume={363},
  number={11 vom: Aug.},
  note={Gesehen am 21.04.2021},
  journal={Advanced synthesis & catalysis},
  doi={10.1002/adsc.202100236},
  url={https://doi.org/10.1002/adsc.202100236},
  library={UB},
}
@article{UBHD-68201853,
  author={Wenzel, Jan and Dreuw, Andreas and Burghardt, Irene},
  title={Charge and energy transfer in a bithiophene perylenediimide based donor-acceptor-donor system for use in organic photovoltaics},
  year={2013},
  pages={11704-11716},
  language={eng},
  issn={1463-9084},
  volume={15},
  number={28},
  note={Gesehen am 14.12.2017},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C3CP51402A},
}
@article{UBHD-68197489,
  author={Wenzel, Jan and Dreuw, Andreas},
  title={Physical properties, exciton analysis, and visualization of core-excited states},
  subtitle={an intermediate state representation approach},
  year={2016},
  pages={1314-1330},
  language={eng},
  issn={1549-9626},
  volume={12},
  number={3},
  note={Gesehen am 04.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.5b01161},
}
@article{UBHD-68199945,
  author={Wenzel, Jan and Holzer, Andre and Wormit, Michael and Dreuw, Andreas},
  title={Analysis and comparison of CVS-ADC approaches up to third order for the calculation of core-excited states},
  year={2015},
  language={eng},
  issn={1089-7690},
  volume={142(2015},
  note={Gesehen am 11.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4921841},
}
@article{UBHD-68200727,
  author={Wenzel, Jan and Wormit, Michael and Dreuw, Andreas},
  title={Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator},
  year={2014},
  pages={1900-1915},
  language={eng},
  issn={1096-987X},
  volume={35},
  number={26},
  note={Gesehen am 12.12.2017},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.23703},
}
@article{UBHD-68201328,
  author={Wenzel, Jan and Wormit, Michael and Dreuw, Andreas},
  title={Calculating X-ray absorption spectra of open-shell molecules with the unrestricted algebraic-diagrammatic construction scheme for the polarization propagator},
  year={2014},
  pages={4583-4598},
  language={eng},
  issn={1549-9626},
  volume={10},
  number={10},
  note={Gesehen am 13.12.2017},
  journal={Journal of chemical theory and computation},
  doi={10.1021/ct5006888},
}
@article{UBHD-68994780,
  author={Wiesner, Thomas and Wu, Zhu and Han, Jie and Ji, Lei and Friedrich, Alexandra and Krummenacher, Ivo and Moos, Michael and Lambert, Christoph and Braunschweig, Holger and Rudin, Benjamin and Reiß, Hilmar and Tverskoy, Olena and Rominger, Frank and Dreuw, Andreas and Marder, Todd B. and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={The radical anion, dianion and electron transport properties of tetraiodotetraazapentacene},
  year={2022},
  pages={1-8},
  language={eng},
  issn={1521-3765},
  volume={28},
  note={Gesehen am 08.12.2022},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202201919},
  url={https://doi.org/10.1002/chem.202201919},
  library={UB},
}
@book{UBHD-68994776,
  author={Wiesner, Thomas and Wu, Zhu and Han, Jie and Ji, Lei and Friedrich, Alexandra and Krummenacher, Ivo and Moos, Michael and Lambert, Christoph and Braunschweig, Holger and Rudin, Benjamin and Reiß, Hilmar and Tverskoy, Olena and Rominger, Frank and Dreuw, Andreas and Marder, Todd and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={The radical anion, dianion and electron transport properties of tetraiodo-tetraazapentacene [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2022},
  pages={1 Online-Ressource (4 Files)},
  language={eng},
  note={Gesehen am 08.12.2022},
  doi={10.11588/data/S0KS2I},
  url={https://doi.org/10.11588/data/S0KS2I},
  library={UB},
}
@article{UBHD-69055202,
  author={Witzel, Sina and Hoffmann, Marvin and Rudolph, Matthias and Rominger, Frank and Dreuw, Andreas and Hashmi, A. Stephen K.},
  title={A radical chain},
  subtitle={mononuclear “Gold Only” photocatalysis},
  year={2022},
  pages={581-592},
  language={eng},
  issn={1615-4169},
  volume={364},
  number={3},
  note={Version of record online: December 2, 2021 ; Gesehen am 23.03.2023},
  journal={Advanced synthesis & catalysis},
  doi={10.1002/adsc.202101113},
  url={https://doi.org/10.1002/adsc.202101113},
  library={UB},
}
@article{UBHD-68202309,
  author={Wormit, Michael and Rehn, Dirk R. and Harbach, Philipp H. P. and Wenzel, Jan and Krauter, Caroline M. and Dreuw, Andreas},
  title={Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator},
  year={2014},
  pages={774-784},
  language={eng},
  issn={1362-3028},
  volume={112},
  number={5-6},
  note={Published online: 28 Oct 2013 ; Gesehen am 15.12.2017},
  journal={Molecular physics},
  doi={10.1080/00268976.2013.859313},
}
@book{UBHD-69045232,
  author={Wu, Zhu and Hippchen, Nikolai and Han, Jie and Ji, Lei and Friedrich, Alexandra and Krummenacher, Ivo and Braunschweig, Holger and Krebs, Johannes and Moos, Michael and Biegger, Philipp and Tverskoy, Olena and Maier, Steffen and Lambert, Christoph and Dreuw, Andreas and Marder, Todd B. and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={The radical anion and dianion of Benzo(3,4)cyclobuta(1,2-b)phenazine [NMR data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2023},
  pages={1 Online-Ressource (1 File)},
  language={eng},
  note={Im Titel steh [3,4] und [1,2-b] jeweils in eckiger Klammer ; Gesehen am 27.02.2023},
  doi={10.11588/data/JCO0E4},
  url={https://doi.org/10.11588/data/JCO0E4},
  library={UB},
}
@article{UBHD-69045240,
  author={Wu, Zhu and Hippchen, Nikolai and Han, Jie and Ji, Lei and Friedrich, Alexandra and Krummenacher, Ivo and Braunschweig, Holger and Krebs, Johannes and Moos, Michael and Biegger, Philipp and Tverskoy, Olena and Maier, Steffen and Lambert, Christoph and Dreuw, Andreas and Marder, Todd B. and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={The radical anion and dianion of Benzo(3,4)cyclobuta(1,2-b)phenazine},
  year={2023},
  pages={1-8},
  language={eng},
  issn={1520-6904},
  note={Im Titel steh [3,4] und [1,2-b] jeweils in eckiger Klammer ; Gesehen am 27.02.2023},
  journal={The journal of organic chemistry},
  doi={10.1021/acs.joc.2c02279},
}
@article{UBHD-68679975,
  author={Xie, Gaozhan and Brosius, Victor and Han, Jie and Rominger, Frank and Dreuw, Andreas and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={Stable radical cations of N,N′‐Diarylated Dihydrodiazapentacenes},
  year={2020},
  pages={160-164},
  language={eng},
  issn={1521-3765},
  volume={26},
  number={1},
  note={First published: 20 September 2019 ; Gesehen am 14.01.2021},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201904308},
  url={https://doi.org/10.1002/chem.201904308},
  library={UB},
}
@article{UBHD-68200724,
  author={Yang, Chong and Dreuw, Andreas},
  title={Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations},
  year={2017},
  pages={1528-1537},
  language={eng},
  issn={1096-987X},
  volume={38},
  number={17},
  note={Gesehen am 12.12.2017},
  journal={Journal of computational chemistry},
  doi={10.1002/jcc.24794},
}
@article{UBHD-68570715,
  author={Yang, Chong and Slavov, Chavdar and Wegner, Hermann A. and Wachtveitl, Josef and Dreuw, Andreas},
  title={Computational design of a molecular triple photoswitch for wavelength-selective control},
  year={2018},
  pages={8665-8672},
  language={eng},
  issn={2041-6539},
  volume={9},
  number={46},
  note={Gesehen am 27.03.2020},
  journal={Chemical science},
  doi={10.1039/C8SC03379J},
}
@article{UBHD-68198765,
  author={You, Zhi-Qiang and Mewes, Jan-Michael and Dreuw, Andreas},
  title={Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models},
  year={2015},
  language={eng},
  issn={1089-7690},
  volume={143(2015},
  note={Gesehen am 06.12.2017},
  journal={The journal of chemical physics},
  doi={10.1063/1.4936357},
}
@article{UBHD-68533744,
  author={Zech, Alexander and Ricardi, Niccolò and Prager, Stefan and Dreuw, Andreas and Wesolowski, Tomasz A.},
  title={Benchmark of excitation energy shifts from frozen-density embedding theory},
  subtitle={introduction of a density-overlap-based applicability threshold},
  year={2018},
  pages={4028-4040},
  language={eng},
  issn={1549-9626},
  volume={14},
  number={8},
  note={Gesehen am 17.03.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.8b00201},
}
@article{UBHD-68414525,
  author={Zech, Alexander and Dreuw, Andreas and Wesolowski, Tomasz A.},
  title={Extension of frozen-density embedding theory for non-variational embedded wavefunctions},
  year={2019},
  pages={6 S.},
  language={eng},
  issn={1089-7690},
  volume={150(2019},
  number={12) Artikel-Nummer 121101},
  note={Gesehen am 31.07.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5089233},
}
@book{UBHD-69107762,
  author={Zeitter, Nico and Hippchen, Nikolai and Weidlich, Anna and J{\"a}ger, Patrick and Ludwig, Philipp and Rominger, Frank and Freudenberg, Jan and Dreuw, Andreas and Bunz, Uwe H. F.},
  title={Hexakis-TIPS-alkynylated nonacenes},
  subtitle={persistent and processible [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2023},
  pages={1 Online-Ressource (7 Files)},
  language={eng},
  note={Gesehen am 09.08.2023},
  doi={10.11588/data/TFFFN4},
  url={https://doi.org/10.11588/data/TFFFN4},
  library={UB},
}
@article{UBHD-69107769,
  author={Zeitter, Nico and Hippchen, Nikolai and J{\"a}ger, Patrick and Weidlich, Anna and Ludwig, Philipp and Rominger, Frank and Dreuw, Andreas and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={Hexakis-TIPS-alkynylated nonacenes},
  subtitle={persistent and processible},
  year={2023},
  pages={1-7},
  language={eng},
  issn={1521-3765},
  number={Artikel-ID e202302323},
  note={Gesehen am 09.08.2023},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.202302323},
  url={https://doi.org/10.1002/chem.202302323},
  library={UB},
}
@book{UBHD-68996136,
  author={Zeitter, Nico and Hippchen, Nikolai and Maier, Steffen and Rominger, Frank and Freudenberg, Jan and Bunz, Uwe H. F. and Dreuw, Andreas},
  title={Persistent ambipolar heptacenes and their redox species [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2022},
  pages={1 Online-Ressource (1 File)},
  language={eng},
  note={Gesehen am 12.12.2022},
  doi={10.11588/data/CVD7WF},
  url={https://doi.org/10.11588/data/CVD7WF},
  library={UB},
}
@article{UBHD-68996493,
  author={Zeitter, Nico and Hippchen, Nikolai and Maier, Steffen and Rominger, Frank and Dreuw, Andreas and Freudenberg, Jan and Bunz, Uwe H. F.},
  title={Persistent ambipolar heptacenes and their redox species},
  subtitle={dedicated to Professor Holger Braunschweig on the occasion of his 60th birthday},
  year={2022},
  pages={1-6$t6},
  language={eng},
  issn={1521-3773},
  volume={61},
  note={Online ver{\"o}ffentlicht am 04. April 2022 ; Gesehen am 13.12.2022},
  journal={Angewandte Chemie},
  doi={10.1002/anie.202200918},
  url={https://doi.org/10.1002/anie.202200918},
  library={UB},
}