Ab initio implementation of quantum trajectory mean-field approach and dynamical simulation of the N2CO photodissociation-Reference-Cited by-同舟云学术

Ab initio implementation of quantum trajectory mean-field approach and dynamical simulation of the N2CO photodissociation

Published:2015-11-21 Issue:19 Volume:143 Page:194107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Xie Binbin¹^ORCID,Liu Lihong¹,Cui Ganglong¹,Fang Wei-Hai¹^ORCID,Cao Jun²,Feng Wei³^ORCID,Li Xin-qi³

Affiliation:

1. Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China

2. Guizhou Provincial Key Laboratory of Computational Nano-material Science, Guizhou Normal College, Guiyang 550018, China

3. Department of Physics, Beijing Normal University, Beijing 100875, China

Funder

Major State Basic Research Development Programs of China

National Natural Science Foundation of China (NSFC)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4935800

Reference50 articles.

1. Ultrafast intramolecular relaxation dynamics of Mg- and Zn-bacteriochlorophyll a

2. Operation of the Proton Wire in Green Fluorescent Protein. A Quantum Dynamics Simulation

3. Reversible Switching of pRNA Activity on the DNA Packaging Motor of Bacteriophage phi29

4. Buffer-Assisted Proton-Coupled Electron Transfer in a Model Rhenium−Tyrosine Complex

5. Adiabatic and Non-adiabatic Concerted Proton−Electron Transfers. Temperature Effects in the Oxidation of Intramolecularly Hydrogen-Bonded Phenols

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