Dynamics Simulations with Spin-Flip Time-Dependent Density Functional Theory: Photoisomerization and Photocyclization Mechanisms of cis-Stilbene in ππ* States-Reference-Cited by-同舟云学术

Dynamics Simulations with Spin-Flip Time-Dependent Density Functional Theory: Photoisomerization and Photocyclization Mechanisms of cis-Stilbene in ππ* States

Published:2014-09-17 Issue:51 Volume:118 Page:11987-11998
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Harabuchi Yu¹,Keipert Kristopher²,Zahariev Federico²,Taketsugu Tetsuya¹,Gordon Mark S.²

Affiliation:

1. Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810, Japan

2. Department of Chemistry, Iowa State University, Ames, Iowa 50011, United States

Funder

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp5072428

Reference100 articles.

1. Synthetic Molecular Motors and Mechanical Machines

2. Reversible Photocontrol of Biological Systems by the Incorporation of Molecular Photoswitches

3. The Photochemical Conversion of Stilbene to Phenanthrene. The Nature of the Intermediate

4. Structure, spectra, photochemistry, and thermal reactions of the 4a,4b-dihydrophenanthrenes

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