Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model-Reference-Cited by-同舟云学术

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Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model

Published:2012-09-24 Issue:11 Volume:8 Page:4069-4080
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gozem Samer¹,Huntress Mark¹,Schapiro Igor¹,Lindh Roland²,Granovsky Alexander A.³,Angeli Celestino⁴,Olivucci Massimo¹⁵

Affiliation:

1. Department of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States

2. Department of Chemistry − Ångström, the Theoretical Chemistry Programme, POB 518, SE-751 20 Uppsala, Sweden

3. Firefly Project, Moscow 117593, Russia

4. Dipartimento di Chimica, Università di Ferrara, via Borsari 46, I-44121 Ferrara, Italy

5. Dipartimento di Chimica, Università di Siena, via De Gasperi 2, I-53100 Siena, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct3003139

Reference57 articles.

1. The short-chain acroleiniminium and pentadieniminium cations: towards a model for retinal photoisomerization. A CASSCF/PT2 study

2. Ground and excited state CASPT2 geometry optimizations of small organic molecules

3. Photoisomerization acceleration in retinal protonated Schiff-base models

4. CASPT2//CASSCF and TDDFT//CASSCF Mapping of the Excited State Isomerization Path of a Minimal Model of the Retinal Chromophore

5. Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance

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