QM/MM nonadiabatic dynamics simulations on photoinduced Wolff rearrangements of 1,2,3-thiadiazole-Reference-Cited by-同舟云学术

QM/MM nonadiabatic dynamics simulations on photoinduced Wolff rearrangements of 1,2,3-thiadiazole

Published:2017-06-14 Issue:22 Volume:146 Page:224302
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Liu Xiang-Yang¹,Fang Ye-Guang¹,Xie Bin-Bin¹^ORCID,Fang Wei-Hai¹^ORCID,Cui Ganglong¹^ORCID

Affiliation:

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

Funder

National Key Research & Development Program of China

National Natural Science Foundation 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/10.1063/1.4984589

Reference62 articles.

1. Thiadiazole: A new family of intercalative photonuclease with electron transfer and radical mechanisms

2. Matrix photolysis of 1,2,3-thiadiazole. Possible involvement of thiirene

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