A Photophysical Deactivation Channel of Laser-Excited TATB Based on Semiclassical Dynamics Simulation and TD-DFT Calculation.

Zhang, Wenying; Sang, Jian; Cheng, Jie; Ge, Siyu; Yuan, Shuai; Lo, Glenn V; Dou, Yusheng

Zhang, Wenying; Sang, Jian; Cheng, Jie; Ge, Siyu; Yuan, Shuai; Lo, Glenn V; Dou, Yusheng.

Affiliation

Zhang W; Chongqing Key Laboratory of Big Data for Bio Intelligence, Chongqing University of Posts and Telecommunications, Chongqing 40065, China. zhangwenying@cqupt.edu.cn.
Sang J; Chongqing Key Laboratory of Big Data for Bio Intelligence, Chongqing University of Posts and Telecommunications, Chongqing 40065, China. 2013212035@stu.cqupt.edu.cn.
Cheng J; Chongqing Key Laboratory of Big Data for Bio Intelligence, Chongqing University of Posts and Telecommunications, Chongqing 40065, China. 2014212214@stu.cqupt.edu.cn.
Ge S; Chongqing Key Laboratory of Big Data for Bio Intelligence, Chongqing University of Posts and Telecommunications, Chongqing 40065, China. gesiyu96@163.com.
Yuan S; Chongqing Key Laboratory of Big Data for Bio Intelligence, Chongqing University of Posts and Telecommunications, Chongqing 40065, China. yuanshuai@cqupt.edu.cn.
Lo GV; Department of Physical Sciences, Nicholls State University, P.O. Box 2022, Thibodaux 70310, LA, USA. glenn.lo@nicholls.edu.
Dou Y; Department of Physical Sciences, Nicholls State University, P.O. Box 2022, Thibodaux 70310, LA, USA. yusheng.dou@nicholls.edu.

Molecules ; 23(7)2018 06 30.

Article in En | MEDLINE | ID: mdl-29966325

Subject(s)

Lasers; Quantum Theory; Trinitrobenzenes/chemistry

Key words

TATB; TD-DFT; charge transfer; energetic materials; nonradiative deactivation; semiclassical dynamic; vibrational relaxation

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quantum Theory / Trinitrobenzenes / Lasers Language: En Journal: Molecules Journal subject: BIOLOGIA Year: 2018 Type: Article Affiliation country: China

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