@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-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}, } @book{UBHD-68165046, author={Prager, Stefan}, title={Development of frozen-density embedded algebraic diagrammatic construction schemes for excited states and quantum-chemical investigation of photophysical properties of tetrathiaheterohelicenes}, address={Heidelberg}, year={2017}, pages={1 Online-Ressource (XV, 233, A 1 - A 40 Seiten)}, language={eng}, school={Dissertation, Ruprecht-Karls Universit{\"a}t Heidelberg, 2017}, doi={10.11588/heidok.00023223}, keywords={Theoretische Chemie / Computational chemistry / Fotochemie / Elektronenstruktur / Angeregter Zustand / Polymerelektronik}, url={https://nbn-resolving.org/urn:nbn:de:bsz:16-heidok-232231}, library={UB}, } @book{UBHD-68177604, author={Prager, Stefan}, title={Development of frozen-density embedded algebraic diagrammatic construction schemes for excited states and quantum-chemical investigation of photophysical properties of tetrathiaheterohelicenes}, address={Heidelberg}, year={2017}, pages={XV, 233, A 1 - A 41 Seiten}, language={eng}, school={Dissertation, Ruprecht-Karls Universit{\"a}t Heidelberg, 2017}, keywords={Theoretische Chemie / Computational chemistry / Fotochemie / Elektronenstruktur / Angeregter Zustand / Polymerelektronik}, library={UB [Signatur: 2017 U 711]}, } @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-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}, }