Trajectory surface hopping molecular dynamics simulations for retinal protonated Schiff-base photoisomerization-Reference-Cited by-同舟云学术

Trajectory surface hopping molecular dynamics simulations for retinal protonated Schiff-base photoisomerization

Published:2021 Issue:41 Volume:23 Page:23861-23874
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Yuxiu¹,Zhu Chaoyuan¹²^ORCID

Affiliation:

1. Department of Applied Chemistry and Institute of Molecular Science, National Chiao-Tung University, Hsinchu 30010, Taiwan

2. Department of Applied Chemistry and Center for Emergent Functional Matter Science, National Yang Ming Chiao Tung University, Hsinchu 30010, Taiwan

Abstract

A global-switching trajectory surface hopping method on TDDFT potential energy surfaces has been used to simulate complex conical intersection networks and to predict photoproduct quantum yield distributions for a real RPSB system.

Funder

Ministry of Science and Technology, Taiwan

National Chiao Tung University

Ministry of Education

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP03401D

Reference48 articles.

1. Direct Observation of the Femtosecond Excited-State cis - trans Isomerization in Bacteriorhodopsin

2. Comparative investigation of the photoisomerization of the protonated and unprotonated n-butylamine Schiff bases of 9-cis-, 11-cis-, 13-cis-, and all-trans-retinals

3. Redetermination of the Quantum Yield of Photoisomerization and Energy Content in the K-Intermediate of Bacteriorhodopsin Photocycle and Its Mutants by the Photoacoustic Technique

4. Excited-State Dynamics of a Protonated Retinal Schiff Base in Solution

5. Excited-state dynamics of a protonated Schiff base of all-trans retinal in methanol probed by femtosecond fluorescence measurement

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