Excited state dynamics of the s-trans-1, 3-butadiene cation: An ab initio quantum dynamical analysis-Reference-Cited by-同舟云学术

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Excited state dynamics of the s-trans-1, 3-butadiene cation: An ab initio quantum dynamical analysis

Published:2019-09-14 Issue:10 Volume:151 Page:104105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Nikoobakht Behnam¹^ORCID,Dreuw Andreas²^ORCID,Köppel Horst³^ORCID

Affiliation:

1. School of Chemistry, The University of Sydney, Sydney, Australia

2. Interdisziplinäres Zentrum für Wissenschaftliches Rechnen, Universität Heidelberg, Im Neuenheimer Feld 205, D-69120 Heidelberg, Germany

3. Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, INF 229, D-69120 Heidelberg, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5108610

Reference30 articles.

1. Electronic spectroscopy ofs‐trans1,3‐butadiene by electron impact

2. The valence electronic excited states of trans-1,3-butadiene and trans, trans-1,3,5-hexatriene from generalized valence bond and configuration interact

3. Equilibrium Structures for Butadiene and Ethylene: Compelling Evidence for Π-Electron Delocalization in Butadiene

4. How much double excitation character do the lowest excited states of linear polyenes have?

5. A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene

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