Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods-Reference-Cited by-同舟云学术

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Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods

Published:2012-11-09 Issue:1 Volume:9 Page:284-292
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gozem Samer¹,Krylov Anna I.²,Olivucci Massimo¹³

Affiliation:

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

2. Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, United States

3. 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/ct300759z

Reference61 articles.

1. The C5H6NH2+ Protonated Shiff Base: An ab Initio Minimal Model for Retinal Photoisomerization

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

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

4. Photoisomerization acceleration in retinal protonated Schiff-base models

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

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