@article{UBHD-68621326,
  author={Assmann, Mariana and K{\"o}ppel, Horst and Matsika, Spiridoula},
  title={Photoelectron spectrum and dynamics of the uracil cation},
  year={2015},
  pages={866-875},
  language={eng},
  issn={1520-5215},
  volume={119},
  number={5},
  note={Gesehen am 28.07.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/jp512221x},
}
@article{UBHD-68291946,
  author={Bâldea, Ioan and K{\"o}ppel, Horst and Wenzel, Wolfgang},
  title={(4,4′)-Bipyridine in vacuo and in solvents},
  subtitle={a quantum chemical study of a prototypical floppy molecule from a molecular transport perspective},
  year={2013},
  pages={1918-1928},
  language={eng},
  issn={1463-9084},
  volume={15},
  number={6},
  note={The article was received on 13 Oct 2012, accepted on 21 Nov 2012 and first published on 22 November 2012 ; Gesehen am 03.08.2018},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C2CP43627B},
}
@article{UBHD-68989548,
  author={Bâldea, Ioan and K{\"o}ppel, Horst and Maul, Robert and Wenzel, Wolfgang},
  title={Applying the extended molecule approach to correlated electron transport},
  subtitle={important insight from model calculations},
  year={2010},
  pages={1-12},
  language={eng},
  issn={1089-7690},
  volume={133},
  note={Gesehen am 28.11.2022},
  journal={The journal of chemical physics},
  doi={10.1063/1.3455056},
}
@article{UBHD-68291939,
  author={Bâldea, Ioan and K{\"o}ppel, Horst},
  title={Evidence on single-molecule transport in electrostatically-gated molecular transistors},
  year={2012},
  pages={1472-1476},
  language={eng},
  issn={1873-2429},
  volume={376},
  number={17},
  note={Available online 12 March 2012 ; Gesehen am 03.08.2018},
  journal={Physics letters},
  doi={10.1016/j.physleta.2012.03.021},
}
@article{UBHD-68291933,
  author={Bâldea, Ioan and K{\"o}ppel, Horst},
  title={A physical limitation of the Wigner "distribution" function in molecular transport},
  year={2012},
  pages={1645-1646},
  language={eng},
  issn={1873-2429},
  volume={376},
  number={19},
  note={Available online 29 March 2012 ; Gesehen am 03.08.2018},
  journal={Physics letters},
  doi={10.1016/j.physleta.2012.03.054},
}
@article{UBHD-68899640,
  author={Bâldea, Ioan and K{\"o}ppel, Horst},
  title={Reply to "Comment on "Critical analysis of a variational method used to describe molecular electron transport""},
  year={2011},
  pages={1-7},
  language={eng},
  issn={1550-235X},
  volume={84},
  note={Gesehen am 25.03.2022},
  journal={Physical review},
  doi={10.1103/PhysRevB.84.037305},
}
@article{UBHD-68989526,
  author={Bâldea, Ioan and K{\"o}ppel, Horst},
  title={Single-electron transistors studied by microwave and far-infrared absorption},
  subtitle={theoretical results and experimental proposal},
  year={2010},
  pages={1-22},
  language={eng},
  issn={1550-235X},
  volume={81},
  number={Artikel-ID 125322},
  note={Gesehen am 28.11.2022},
  journal={Physical review},
  doi={10.1103/PhysRevB.81.125322},
}
@article{UBHD-68989509,
  author={Bâldea, Ioan and K{\"o}ppel, Horst},
  title={Sources of negative differential resistance in electric nanotransport},
  year={2010},
  pages={1-4},
  language={eng},
  issn={1550-235X},
  volume={81},
  note={Gesehen am 28.11.2022},
  journal={Physical review},
  doi={10.1103/PhysRevB.81.193401},
}
@article{UBHD-68291930,
  author={Bâldea, Ioan and K{\"o}ppel, Horst},
  title={Transition voltage spectroscopy in vacuum break junction},
  subtitle={the standard tunneling barrier model and beyond},
  year={2012},
  pages={1791-1804},
  language={eng},
  issn={1521-3951},
  volume={249},
  number={9},
  note={Published online 17 May 2012 ; Gesehen am 03.08.2018},
  journal={Physica status solidi},
  doi={10.1002/pssb.201248034},
}
@article{UBHD-68304719,
  author={Balmer, Franziska Andrea and Kopec, Sabine and K{\"o}ppel, Horst},
  title={Excitonic splitting and vibronic coupling analysis of the m-cyanophenol dimer},
  year={2017},
  pages={73-87},
  language={eng},
  issn={1520-5215},
  volume={121},
  number={1},
  note={Publication date (Web): December 6, 2016 ; Gesehen am 13.09.2018},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.6b10416},
}
@article{UBHD-68655672,
  author={Bleiholder, Christian and Werz, Daniel B. and K{\"o}ppel, Horst and Gleiter, Rolf},
  title={Theoretical investigations on chalcogen-chalcogen interactions},
  subtitle={what makes these nonbonded interactions bonding?},
  year={2006},
  pages={2666-2674},
  language={eng},
  issn={1520-5126},
  volume={128},
  number={8},
  note={Gesehen am 30.10.2020},
  journal={Journal of the American Chemical Society},
  doi={10.1021/ja056827g},
}
@article{UBHD-68380178,
  author={Chattopadhyay, Anjan and Hakim, Raymond and Komainda, Adrian and K{\"o}ppel, Horst},
  title={A computational investigation on the photo-isomerization of 2,4,6-octatriene and its UV-visible spectrum},
  year={2018},
  pages={98-105},
  language={eng},
  volume={509},
  note={Available online 16 December 2017 ; Gesehen am 11.04.2019},
  journal={Chemical physics},
  doi={10.1016/j.chemphys.2017.12.006},
}
@book{UBHD-68752903,
  editor={Domcke, Wolfgang and Yarkony, David and K{\"o}ppel, Horst},
  title={Conical intersections},
  subtitle={electronic structure, dynamics & spectroscopy},
  publisher={World Scientific},
  address={Singapore [u.a.]},
  year={2004},
  pages={XVII, 838 S.},
  language={eng},
  isbn={981-238-672-6 and 978-981-238-672-4},
  number={ARRAY(0x55ba1d16a230)},
  series={Advanced series in physical chemistry},
  note={Literaturangaben},
  keywords={Potenzialhyperfl{\"a}che / Elektronenstruktur / Spektroskopie},
}
@book{UBHD-68752920,
  editor={Domcke, Wolfgang and Yarkony, David and K{\"o}ppel, Horst},
  title={Conical intersections},
  subtitle={electronic structure, dynamics & spectroscopy},
  publisher={World Scientific},
  address={River Edge, N.J ; London},
  year={2004},
  pages={Online Ressource (xvii, 838 p.)},
  language={eng},
  isbn={978-981-238-672-4 and 981-238-672-6 and 981-256-546-9 and 978-981-256-546-4},
  number={ARRAY(0x55ba1d143b58)},
  series={Advanced series in physical chemistry},
  note={Includes bibliographical references and index. - Description based on print version record},
  keywords={Potenzialhyperfl{\"a}che / Elektronenstruktur / Spektroskopie},
}
@book{UBHD-68752914,
  editor={Domcke, Wolfgang and Yarkony, David and K{\"o}ppel, Horst},
  title={Conical intersections},
  subtitle={theory, computation and experiment},
  publisher={World Scientific},
  address={Singapore [u.a.]},
  year={2011},
  pages={XIII, 754 S.},
  language={eng},
  isbn={978-981-4313-44-5 and 981-4313-44-0},
  number={ARRAY(0x55ba1d143240)},
  series={Advanced series in physical chemistry},
  keywords={Potenzialhyperfl{\"a}che / Elektronenstruktur / Spektroskopie},
}
@book{UBHD-68752972,
  editor={Domcke, Wolfgang and Yarkony, David and K{\"o}ppel, Horst},
  title={Conical intersections},
  subtitle={theory, computation and experiment},
  publisher={World Scientific Pub. Co},
  address={Singapore},
  year={2011},
  pages={Online Ressource (xiii, 754 p.)},
  language={eng},
  isbn={978-981-4313-45-2 and 981-4313-45-9},
  number={ARRAY(0x55ba1d1074e0)},
  series={Advanced series in physical chemistry},
  note={Includes bibliographical references and index},
  keywords={Potenzialhyperfl{\"a}che / Elektronenstruktur / Spektroskopie},
}
@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},
}
@book{UBHD-68752955,
  editor={K{\"o}ppel, Horst},
  title={Electron correlation and multimode dynamics in molecules},
  subtitle={(in honor of Lorenz S. Cederbaum)},
  publisher={Elsevier},
  address={Amsterdam [u.a.]},
  year={2006},
  pages={XI, 370 S.},
  language={eng},
  number={ARRAY(0x55ba1d11ddd8)},
  series={Chemical physics},
}
@article{UBHD-68913898,
  author={Faraji, Shirin and Vazdar, M. and Reddy, V. Sivaranjana and Eckert-Maksic, M. and Lischka, H. and K{\"o}ppel, Horst},
  title={Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole},
  year={2011},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={135},
  note={Gesehen am 03.05.2022},
  journal={The journal of chemical physics},
  doi={10.1063/1.3651536},
}
@article{UBHD-68333416,
  author={Faraji, Shirin and K{\"o}ppel, Horst},
  title={Multi-state vibronic interactions in the 1,2,3-trifluorobenzene radical cation},
  year={2012},
  pages={13 S.},
  language={eng},
  issn={1089-7690},
  volume={137},
  note={Gesehen am 28.11.2018},
  journal={The journal of chemical physics},
  doi={10.1063/1.4746159},
}
@article{UBHD-68260342,
  author={Galbraith, M. C. E. and Scheit, Simona and Golubev, Nikolay V. and Despré, Victor and Kuleff, Alexander I. and K{\"o}ppel, Horst},
  title={Few-femtosecond passage of conical intersections in the benzene cation},
  year={2017},
  language={eng},
  issn={2041-1723},
  volume={8(2017) Artikel-Nummer 1018},
  number={7 Seiten},
  note={Gesehen am 12.06.2018},
  journal={Nature Communications},
  doi={10.1038/s41467-017-01133-y},
}
@article{UBHD-69055588,
  author={Gindensperger, Etienne and K{\"o}ppel, Horst and Daniel, Chantal},
  title={Mechanism of visible-light photoisomerization of a rhenium(I) carbonyl-diimine complex},
  year={2010},
  pages={8225-8227},
  language={eng},
  issn={0022-4936 and 0009-241X and 1359-7345},
  volume={46},
  number={43},
  note={Gesehen am 24.03.2023},
  journal={Chemical communications},
  doi={10.1039/C0CC02661A},
}
@article{UBHD-69067567,
  author={Gómez-Carrasco, Susana and M{\"u}ller, Thomas J. J. and K{\"o}ppel, Horst},
  title={Ab initio study of the VUV-induced multistate photodynamics of formaldehyde},
  year={2010},
  pages={11436-11449},
  language={eng},
  issn={1520-5215},
  volume={114},
  number={43},
  note={Gesehen am 20.04.2023},
  journal={The journal of physical chemistry},
  doi={10.1021/jp106777z},
}
@article{UBHD-68321165,
  author={Gómez-Carrasco, Susana and K{\"o}ppel, Horst},
  title={Quantum dynamical study of low-energy photoelectron bands of 2-phenylethyl-N,N-dimethylamine#},
  year={2012},
  pages={247-253},
  language={eng},
  issn={0973-7103},
  volume={124},
  number={1},
  note={Im Titel ist das Rautenzeichen hochgestellt ; Gesehen am 25.10.2018},
  journal={Journal of chemical sciences},
  doi={10.1007/s12039-012-0223-7},
}
@article{UBHD-68569101,
  author={Goswami, Sugata and Kopec, Sabine and K{\"o}ppel, Horst},
  title={Vibronic coupling and excitation transfer in hydrogen-bonded molecular dimers},
  subtitle={a quantum dynamical analysis},
  year={2019},
  pages={5491-5503},
  language={eng},
  issn={1520-5215},
  volume={123},
  number={26},
  note={Gesehen am 22.04.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.9b04903},
}
@article{UBHD-68940198,
  author={Gromov, Evgeniy and Lévêque, C. and Gatti, F. and Burghardt, I. and K{\"o}ppel, Horst},
  title={Ab initio quantum dynamical study of photoinduced ring opening in furan},
  year={2011},
  pages={1-11},
  language={eng},
  issn={1089-7690},
  volume={135},
  note={Gesehen am 11.07.2022},
  journal={The journal of chemical physics},
  doi={10.1063/1.3653792},
}
@article{UBHD-68255271,
  author={Gromov, Evgeniy and Burghardt, Irene and K{\"o}ppel, Horst and Cederbaum, Lorenz S.},
  title={Native hydrogen bonding network of the photoactive yellow protein (PYP) chromophore},
  subtitle={impact on the electronic structure and photoinduced isomerization dimensions},
  year={2012},
  pages={123-134},
  language={eng},
  issn={1873-2666},
  volume={234},
  note={Available online 21 January 2012 ; Gesehen am 28.05.2018},
  journal={Journal of photochemistry and photobiology},
  doi={10.1016/j.jphotochem.2012.01.007},
}
@article{UBHD-68940195,
  author={Gromov, Evgeniy and Burghardt, Irene and K{\"o}ppel, Horst and Cederbaum, Lorenz S.},
  title={Photoinduced isomerization of the photoactive yellow protein (PYP) chromophore},
  subtitle={interplay of two torsions, a HOOP mode and hydrogen Bonding},
  year={2011},
  pages={9237-9248},
  language={eng},
  issn={1520-5215},
  volume={115},
  number={33},
  note={Gesehen am 11.07.2022},
  journal={The journal of physical chemistry},
  doi={10.1021/jp2011843},
}
@article{UBHD-68709188,
  author={Gromov, Evgeniy and Sivaranjana Reddy, Vennapusa and Gatti, Fabien and K{\"o}ppel, Horst},
  title={Reaction surface approach to multimode vibronic coupling problems},
  subtitle={general framework and application to furan},
  year={2013},
  pages={1-16},
  language={eng},
  issn={1089-7690},
  volume={139},
  note={Gesehen am 10.03.2021},
  journal={The journal of chemical physics},
  doi={10.1063/1.4845215},
}
@article{UBHD-69079829,
  author={Gromov, Evgeniy and Trofimov, Alexander and Gatti, Fabien and K{\"o}ppel, Horst},
  title={Theoretical study of photoinduced ring-opening in furan},
  year={2010},
  pages={1-11},
  language={eng},
  issn={1089-7690},
  volume={133},
  note={Gesehen am 26.05.2023},
  journal={The journal of chemical physics},
  doi={10.1063/1.3493451},
}
@book{UBHD-68752971,
  editor={K{\"o}ppel, Horst and Barentzen, Heinz and Yarkony, David},
  title={The Jahn-Teller effect},
  subtitle={fundamentals and implications for physics and chemistry},
  publisher={Springer-Verlag Berlin Heidelberg},
  address={Berlin, Heidelberg},
  year={2009},
  pages={Online-Ressource (XXI, 915 p. 322 illus., 6 illus. in color, digital)},
  language={eng},
  isbn={978-3-642-03432-9 and 978-3-642-03431-2},
  series={Springer Series in Chemical Physics ; 97},
  note={Includes bibliographical references and index},
  doi={10.1007/978-3-642-03432-9},
  keywords={Jahn-Teller-Effekt},
}
@book{UBHD-68752912,
  editor={K{\"o}ppel, Horst and Yarkony, David and Barentzen, Heinz},
  title={The Jahn-Teller effect},
  subtitle={fundamentals and implications for physics and chemistry ; [27 papers collected of the 19th International Jahn-Teller Symposium, held in Heidelberg, University Campus, 25-29 August 2008]},
  publisher={Springer},
  address={Berlin ; Heidelberg [u.a.]},
  year={2009},
  pages={XXI, 915 S.},
  language={eng},
  isbn={978-3-642-03431-2},
  number={ARRAY(0x55ba1d192468)},
  series={Springer series in chemical physics},
  note={Literaturangaben},
  keywords={Jahn-Teller-Effekt},
}
@article{UBHD-68947740,
  author={Kayanuma, Megumi and Daniel, Chantal and K{\"o}ppel, Horst and Gindensperger, Etienne},
  title={Photophysics of isomerizable Re(I) complexes},
  subtitle={a theoretical analysis},
  year={2011},
  pages={2693-2703},
  language={eng},
  issn={0010-8545},
  volume={255},
  number={21/22},
  note={Gesehen am 28.07.2022},
  journal={Coordination chemistry reviews},
  doi={10.1016/j.ccr.2011.01.051},
}
@article{UBHD-68713941,
  author={Klatt, G{\"u}nter and Xu, Rong and Pernpointner, Markus and Molinari, Lise and Quang Hung, Tran and Rominger, Frank and Hashmi, A. Stephen K. and K{\"o}ppel, Horst},
  title={Are β-H-eliminations or alkene insertions feasible elementary steps in catalytic cycles involving gold(I) alkyl species or gold(I) hydrides?},
  year={2013},
  pages={3954-3961},
  language={eng},
  issn={1521-3765},
  volume={19},
  number={12},
  note={Gesehen am 09.06.2022},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201203043},
}
@article{UBHD-68713944,
  author={Klatt, G{\"u}nter and Xu, Rong and Pernpointner, Markus and Molinari, Lise and Quang Hung, Tran and Rominger, Frank and Hashmi, A. Stephen K. and K{\"o}ppel, Horst},
  title={Corrigendum: Are β-H-eliminations or alkene insertions feasible elementary steps in catalytic cycles involving gold(I) alkyl species or gold(I) hydrides?},
  year={2013},
  pages={5783-5783},
  language={eng},
  issn={1521-3765},
  volume={19},
  number={19},
  note={Gesehen am 09.06.2022},
  journal={Chemistry - a European journal},
  doi={10.1002/chem.201301422},
}
@incollection{UBHD-67835787,
  author={Klatt, G{\"u}nter and K{\"o}ppel, Horst},
  title={Quantum dynamics of molecular elementary processes in catalytic transformations},
  year={2014},
  pages={5-24},
  language={eng},
  isbn={978-3-527-33521-3},
  note={Gesehen am 25.06.2015},
  booktitle={Molecular catalysts},
  editor={Gade, Lutz H. and Hofmann, Peter},
  doi={10.1002/9783527673278.ch1},
}
@incollection{UBHD-67671634,
  author={Klatt, G{\"u}nter and K{\"o}ppel, Horst},
  title={Quantum dynamics of molecular elementary processes in catalytic transformations},
  year={2014},
  pages={5-24},
  language={eng},
  isbn={3-527-33521-8 and 978-3-527-33521-3},
  booktitle={Molecular catalysts},
  editor={Gade, Lutz H. and Hofmann, Peter},
}
@book{UBHD-2575207,
  author={K{\"o}ppel, Horst},
  title={Schwingungsdynamik von Molek{\"u}len jenseits der Born-Oppenheimer N{\"a}herung},
  year={1991},
  pages={105 Bl.},
  language={ger},
  school={Heidelberg, Univ., Habil.-Schr., 1992},
  library={UB [Signatur: 92 U 782]},
}
@article{UBHD-68576786,
  author={Komainda, Adrian and Lyskov, I. and Marian, C. M. and K{\"o}ppel, Horst},
  title={Ab initio benchmark study of nonadiabatic S1-S2 photodynamics of cis- and trans-hexatriene},
  year={2016},
  pages={6541-6556},
  language={eng},
  issn={1520-5215},
  volume={120},
  number={33},
  note={Gesehen am 14.05.2020},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.6b04971},
}
@article{UBHD-68716362,
  author={Komainda, Adrian and Ostojić, Bojana and K{\"o}ppel, Horst},
  title={Ab initio quantum study of nonadiabatic S1-S2 photodynamics of s-trans-butadiene},
  year={2013},
  pages={8782-8793},
  language={eng},
  issn={1520-5215},
  volume={117},
  number={36},
  note={Im Titel sind die Zahlen 1 und 2 bei S tiefgestellt ; Gesehen am 01.12.2021},
  journal={The journal of physical chemistry},
  doi={10.1021/jp404340m},
}
@article{UBHD-68617359,
  author={Komainda, Adrian and Zech, Alexander and K{\"o}ppel, Horst},
  title={Ab initio quantum study of UV absorption spectra of cis- and trans-hexatriene},
  year={2015},
  pages={25-35},
  language={eng},
  issn={0022-2852},
  volume={311},
  note={Gesehen am 15.07.2020},
  journal={Journal of molecular spectroscopy},
  doi={10.1016/j.jms.2014.12.022},
}
@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-68618105,
  author={Kopec, Sabine and Ottiger, Philipp and Leutwyler, Samuel and K{\"o}ppel, Horst},
  title={Analysis of the S2 ← S0 vibronic spectrum of the ortho-cyanophenol dimer using a multimode vibronic coupling approach},
  year={2015},
  language={eng},
  issn={1089-7690},
  volume={142(2015},
  note={Im Titel sind die Ziffern 2 und 0 tiefgestellt ; Gesehen am 17.07.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.4913363},
}
@article{UBHD-68578187,
  author={Kopec, Sabine and K{\"o}ppel, Horst},
  title={Theoretical analysis of the S2←S0 vibronic spectrum of the 2-pyridone dimer},
  year={2016},
  pages={14 S.},
  language={eng},
  issn={1089-7690},
  volume={144(2016},
  note={Gesehen am 14.05.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.4939522},
}
@article{UBHD-68321216,
  author={Kopec, Sabine and K{\"o}ppel, Horst},
  title={Vibrational quenching of excitonic splittings in H-bonded molecular dimers},
  subtitle={adiabatic description and effective mode approximation},
  year={2012},
  pages={10 S.},
  language={eng},
  issn={1089-7690},
  volume={137},
  note={Gesehen am 25.10.2018},
  journal={The journal of chemical physics},
  doi={10.1063/1.4763979},
}
@article{UBHD-68879011,
  author={Lévêque, Camille and Komainda, Adrian and Taïeb, Richard and K{\"o}ppel, Horst},
  title={Ab initio quantum study of the photodynamics and absorption spectrum for the coupled 11A2 and 11B1 states of SO2},
  year={2013},
  pages={1-11},
  language={eng},
  issn={1089-7690},
  volume={138},
  note={Im Titel ist die Zahl "1" nach der ersten "1" hochgestellt ; Im Titel ist die Zahl "2" nach dem Buchstabe "A" und nach dem Buchstabe "O" tiefgestellt ; Im Titel ist die Zahl "1" nach dem Buchstabe "B" tiefgestellt ; Gesehen am 16.02.2022},
  journal={The journal of chemical physics},
  doi={10.1063/1.4776758},
}
@article{UBHD-68624763,
  author={Lévêque, Camille and Taïeb, Richard and K{\"o}ppel, Horst},
  title={Communication: theoretical prediction of the importance of the 3B2 state in the dynamics of sulfur dioxide},
  year={2014},
  language={eng},
  issn={1089-7690},
  volume={140(2014},
  note={Im Titel ist die 3 hochgestellt und die 2 tiefgestellt ; Gesehen am 06.08.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.4867252},
}
@article{UBHD-68627489,
  author={Lévêque, Camille and Peláez, Daniel and K{\"o}ppel, Horst and Taïeb, Richard},
  title={Direct observation of spin-forbidden transitions through the use of suitably polarized light},
  year={2014},
  language={eng},
  issn={2041-1723},
  volume={5(2014) Artikel-Nummer 4126},
  number={6 Seiten},
  note={Gesehen am 14.08.2020},
  journal={Nature Communications},
  doi={10.1038/ncomms5126},
}
@article{UBHD-68621886,
  author={Lévêque, Camille and K{\"o}ppel, Horst and Taïeb, Richard},
  title={Excited state dynamics in SO2},
  subtitle={III. An "ab initio" quantum study of single- and multi-photon ionization},
  year={2014},
  pages={11 S.},
  language={eng},
  issn={1089-7690},
  volume={140(2014},
  note={Im Titel ist "2" tiefgestellt ; Gesehen am 29.07.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.4875037},
}
@article{UBHD-68588620,
  author={Lévêque, Camille and Taïeb, Richard and K{\"o}ppel, Horst},
  title={Theoretical assignment of the Clements bands of SO2},
  year={2015},
  pages={135-143},
  language={eng},
  volume={460},
  note={Im Titel ist "2" tiefgestellt ; Gesehen am 18.06.2020},
  journal={Chemical physics},
  doi={10.1016/j.chemphys.2015.07.033},
}
@article{UBHD-68275762,
  author={Lyskov, Igor and K{\"o}ppel, Horst and Marian, Christel},
  title={Nonadiabatic photodynamics and UV absorption spectrum of all-trans-octatetraene},
  year={2017},
  pages={3937-3947},
  language={eng},
  issn={1463-9084},
  volume={19},
  number={5},
  note={First published on 06 Jan 2017 ; Gesehen am 29.06.2018},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/C6CP07640H},
}
@article{UBHD-68989109,
  author={Mark, Stefan and Kurek, Alexander and M{\"u}lhaupt, Rolf and Xu, Rong and Klatt, G{\"u}nter and K{\"o}ppel, Horst and Enders, Markus},
  title={Hydridoborane als Regler f{\"u}r “Single-site”-Organochromkatalysatoren},
  subtitle={von nieder- zu ultrahochmolekularem Polyethylen},
  year={2010},
  pages={8933-8936},
  language={ger},
  issn={1521-3757},
  volume={122},
  number={46},
  note={First published: 07 October 2010 ; Gesehen am 25.11.2022},
  journal={Angewandte Chemie},
  doi={10.1002/ange.201003918},
}
@article{UBHD-68989113,
  author={Mark, Stefan and Kurek, Alexander and M{\"u}lhaupt, Rolf and Xu, Rong and Klatt, G{\"u}nter and K{\"o}ppel, Horst and Enders, Markus},
  title={Hydridoboranes as modifiers for single-site organochromium catalysts},
  subtitle={from low- to ultrahigh-molecular-weight polyethylene},
  year={2010},
  pages={8751-8754},
  language={eng},
  issn={1521-3773},
  volume={49},
  number={46},
  note={First published: 07 October 2010 ; Gesehen am 25.11.2022},
  journal={Angewandte Chemie},
  doi={10.1002/anie.201003918},
}
@article{UBHD-69154087,
  author={Menger, Maximilian and K{\"o}ppel, Horst},
  title={On the fluorescence properties and nonradiative transitions in medium-sized all-trans polyenes},
  year={2023},
  pages={8501-8507},
  language={eng},
  issn={1520-5215},
  volume={127},
  number={41 vom: Okt.},
  note={Online ver{\"o}ffentlicht: 10. Oktober 2023 ; Gesehen am 18.12.2023},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpca.3c03117},
}
@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-69162990,
  author={Nikoobakht, Behnam and K{\"o}ppel, Horst},
  title={Conformational dependence of the UV absorption spectrum of CH3CH2CHOO following excitation to the B1A′ state},
  subtitle={research paper},
  year={2023},
  pages={1-9},
  language={eng},
  volume={833},
  number={Artikel-ID 140943},
  note={Artikelversion: 08. November 2023 ; Gesehen am 18.01.2024},
  journal={Chemical physics letters},
  doi={10.1016/j.cplett.2023.140943},
}
@article{UBHD-68969009,
  author={Nikoobakht, Behnam and K{\"o}ppel, Horst and Gindensperger, Etienne and Cederbaum, Lorenz S.},
  title={Efficient computation of adiabatic populations in multi-mode Jahn-Teller systems through the use of effective vibrational modes},
  year={2011},
  pages={1-10},
  language={eng},
  issn={1089-7690},
  volume={135},
  note={Gesehen am 28.09.2022},
  journal={The journal of chemical physics},
  doi={10.1063/1.3656686},
}
@article{UBHD-68249978,
  author={Nikoobakht, Behnam and K{\"o}ppel, Horst and Cederbaum, Lorenz S.},
  title={Efficient computation of adiabatic electronic populations in multi-mode vibronic systems},
  subtitle={theory, implementation, and application},
  year={2012},
  language={eng},
  issn={1089-7690},
  volume={137(2012},
  note={Gesehen am 07.05.2018},
  journal={The journal of chemical physics},
  doi={10.1063/1.4753966},
}
@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-69304126,
  author={Nikoobakht, Behnam and K{\"o}ppel, Horst},
  title={Fully quantal description of combined internal conversion and intersystem crossing processes in the smallest Criegee intermediate CH2OO},
  year={2024},
  pages={24591-24606},
  language={eng},
  issn={1463-9084},
  volume={26},
  number={37},
  note={Gesehen am 13.02.2025},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/D4CP02122C},
}
@article{UBHD-68656870,
  author={Nikoobakht, Behnam and K{\"o}ppel, Horst},
  title={Quantum dynamics study of singlet-triplet transitions in s-trans-1,3-butadiene},
  year={2016},
  pages={221-232},
  language={eng},
  volume={651},
  note={Gesehen am 03.11.2020},
  journal={Chemical physics letters},
  doi={10.1016/j.cplett.2016.03.029},
}
@article{UBHD-68591190,
  author={Ottiger, Philipp and K{\"o}ppel, Horst and Leutwyler, Samuel},
  title={Excitonic splittings in molecular dimers},
  subtitle={why static ab initio calculations cannot match them},
  year={2015},
  pages={6059-6068},
  language={eng},
  issn={2041-6539},
  volume={6},
  number={11},
  note={Gesehen am 25.06.2020},
  journal={Chemical science},
  doi={10.1039/C5SC02546J},
}
@article{UBHD-68244740,
  author={Ottiger, Philipp and K{\"o}ppel, Horst},
  title={Vibrational quenching of excitonic splittings in H-bonded molecular dimers},
  subtitle={the electronic Davydov splittings cannot match experiment},
  year={2012},
  language={eng},
  issn={1089-7690},
  volume={136(2012},
  note={Gesehen am 19.04.2018},
  journal={The journal of chemical physics},
  doi={10.1063/1.4705119},
}
@article{UBHD-68299650,
  author={Sarkar, Rudraditya and K{\"o}ppel, Horst},
  title={On the Jahn-Teller effect in the X∼2E electronic ground state of CH3F+},
  year={2017},
  pages={39-51},
  language={eng},
  volume={482},
  note={Gesehen am 28.08.2018 ; Im Titel ist „2“ und "+" hochgestellt, "∼" steht {\"u}ber "X", „3“ ist tiefgestellt ; Available online 9 September 2016},
  journal={Chemical physics},
  doi={10.1016/j.chemphys.2016.09.011},
}
@article{UBHD-68412665,
  author={Scheit, Simona and Goswami, Sugata and Meyer, Hans-Dieter and K{\"o}ppel, Horst},
  title={Fully quantal treatment of nonadiabatic molecular photodynamics},
  subtitle={general considerations and application to the benzene cation},
  year={2019},
  pages={71-84},
  language={eng},
  issn={2210-271X},
  volume={1150},
  note={Gesehen am 26.07.2019},
  journal={Computational and theoretical chemistry},
  doi={10.1016/j.comptc.2019.01.011},
}
@article{UBHD-68392489,
  author={Trofimov, Alexander and Gromov, Evgeniy and K{\"o}ppel, Horst},
  title={An experimental and theoretical study of the photoelectron spectra of cis-dichloroethene},
  subtitle={Valence shell vertical ionization and vibronic coupling in the low-lying cationic states.},
  year={2018},
  pages={15 S.},
  language={eng},
  issn={1089-7690},
  volume={149(2018},
  note={Gesehen am 23.05.2019},
  journal={The journal of chemical physics},
  doi={10.1063/1.5033425},
}
@article{UBHD-68734636,
  author={Trofimov, Alexander and Skitnevskaya, A. D. and Grigoricheva, E. K. and Gromov, Evgeniy and K{\"o}ppel, Horst},
  title={Vibronic coupling in the ground and excited states of the pyridine radical cation},
  year={2020},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={153},
  note={Gesehen am 06.05.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0024446},
}
@article{UBHD-69008965,
  author={Trofimov, Alexander and Skitnevskaya, A. D. and Grigoricheva, Emma K. and Gromov, E. V. and K{\"o}ppel, Horst},
  title={Vibronic coupling in the ground and excited states of the imidazole radical cation},
  year={2022},
  pages={1-16},
  language={eng},
  issn={1089-7690},
  volume={157},
  note={Gesehen am 23.01.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0118148},
}
@article{UBHD-68314277,
  author={Vibók, Ágnes and K{\"o}ppel, Horst},
  title={Quantum dynamics through conical intersections},
  subtitle={combining effective modes and quadratic couplings},
  year={2012},
  pages={2629-2635},
  language={eng},
  issn={1520-5215},
  volume={116},
  number={11},
  note={Published: October 20, 2011 ; Gesehen am 11.10.2018},
  journal={The journal of physical chemistry},
  doi={10.1021/jp2068528},
}
@article{UBHD-69216630,
  author={Xu, Rong and Klatt, G{\"u}nter and Wadepohl, Hubert and K{\"o}ppel, Horst},
  title={Hydrogen scrambling in ((C5R5)(L)M(H)(C2H4))+ (M = Co, Rh)},
  subtitle={relation of experimental kinetic data to the barriers of the elementary reaction steps},
  year={2010},
  pages={3289-3296},
  language={eng},
  issn={1520-510X},
  volume={49},
  number={7},
  note={Published online4 March 2010 ; Die Ziffern im Titel sind tiefgestellt, das Pluszeichen ist hochgestellt ; Gesehen am 22.05.2024},
  journal={Inorganic chemistry},
  doi={10.1021/ic902276a},
}
@article{UBHD-68329827,
  author={Xu, Rong and Klatt, G{\"u}nter and Enders, Markus and K{\"o}ppel, Horst},
  title={Theoretical evaluation of ethylene insertion into chromium alkyl bonds of Cp-donor-based olefin polymerization catalysts},
  year={2011},
  pages={1077-1085},
  language={eng},
  issn={1520-5215},
  volume={116},
  number={3},
  note={Publication date:December 22, 2011 ; Gesehen am 19.11.2018},
  journal={The journal of physical chemistry},
  doi={10.1021/jp209451p},
}