Combined Quantum Trajectory Mean‐Field and Molecular Mechanical (QTMF/MM) Nonadiabatic Dynamics Simulations on the Photoinduced Ring‐Opening Reaction of 2(5H)‐Thiophenone-Reference-Cited by-同舟云学术

Combined Quantum Trajectory Mean‐Field and Molecular Mechanical (QTMF/MM) Nonadiabatic Dynamics Simulations on the Photoinduced Ring‐Opening Reaction of 2(5H)‐Thiophenone

Published:2019-05-28 Issue:9 Volume:3 Page:897-906
ISSN:2367-0932
Container-title:ChemPhotoChem
language:en
Short-container-title:ChemPhotoChem

Author:

Xie Bin‐Bin¹,Fang Wei‐Hai¹²^ORCID

Affiliation:

1. Hangzhou Institute of Advanced StudiesZhejiang Normal University 1108 Gengwen Road Hangzhou 311231, Zhejiang P. R. China

2. Key Laboratory of Theoretical and Computational Photochemistry Ministry of Education College of ChemistryBeijing Normal University Beijing 100875 P. R. China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Analytical Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cptc.201900076

Reference57 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. Early Events of DNA Photodamage