Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation-Reference-Cited by-同舟云学术

Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation

Published:2017 Issue:19 Volume:19 Page:12094-12106
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gan Yanzhen¹²³⁴⁵,Yue Ling⁶⁷⁸⁹¹⁰,Guo Xugeng¹¹²¹²¹³⁵^ORCID,Zhu Chaoyuan¹²³⁴⁵^ORCID,Cao Zexing¹²³⁴⁵

Affiliation:

1. State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Province Key Lab of Theoretical and Computational Chemistry

2. College of Chemistry and Chemical Engineering

3. Xiamen University

4. Xiamen 361005

5. P. R. China

6. MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter

7. State Key Laboratory for Mechanical Behavior of Materials

8. and Institute of Chemistry for New Energy Materials

9. Department of Chemistry

10. Faculty of Science

11. Institute of Theoretical Chemistry

12. Henan University

13. Kaifeng 475004

Abstract

An on-the-fly trajectory surface hopping dynamic simulation has been performed for revealing the multi-state nonadiabatic deactivation mechanism of coumarin.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP08929A

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