Photodissociation Dynamics of Methyl Hydroperoxide at 193 nm: A Trajectory Surface-Hopping Study

Author(s):  
Prabhash Mahata ◽  
Biswajit Maiti
2016 ◽  
Vol 18 (11) ◽  
pp. 8219-8227 ◽  
Author(s):  
Subhendu Ghosh ◽  
Akshaya Kumar Rauta ◽  
Biswajit Maiti

Photodissociation dynamics of propyne at 193 nm are studied using the fewest switches nonadiabatic trajectory surface hopping method on its first excited singlet electronic state (11A′′).


1988 ◽  
Author(s):  
M. Rothschild ◽  
D. J. Ehrlich

1994 ◽  
Vol 30 (14) ◽  
pp. 1133-1134 ◽  
Author(s):  
P. E. Dyer ◽  
K. C. Byron ◽  
R. J. Farley ◽  
R. Giedl

2003 ◽  
Vol 150 (1) ◽  
pp. G58 ◽  
Author(s):  
Sang-Yun Lee ◽  
Yong-Bae Kim ◽  
Jeong Soo Byun

2012 ◽  
Vol 447 (1) ◽  
pp. 267-272 ◽  
Author(s):  
N. N. Vtyurina ◽  
S. L. Grohovsky ◽  
A. B. Vasiliev ◽  
I. I. Titov ◽  
P. M. Ponomarenko ◽  
...  

1998 ◽  
Vol 231 (2-3) ◽  
pp. 345-353 ◽  
Author(s):  
Hideki Katayanagi ◽  
Nobuaki Yonekuira ◽  
Toshinori Suzuki
Keyword(s):  

2002 ◽  
Author(s):  
Sergei N. Bagayev ◽  
Alexander M. Razhev ◽  
Andrey A. Zhupikov ◽  
Evgeny S. Kargapoltsev
Keyword(s):  

2021 ◽  
Vol 23 (9) ◽  
pp. 5236-5243
Author(s):  
Ying Hu ◽  
Chao Xu ◽  
Linfeng Ye ◽  
Feng Long Gu ◽  
Chaoyuan Zhu

Global switching on-the-fly trajectory surface hopping molecular dynamics simulation was performed on the accurate TD-B3LYP/6-31G* potential energy surfaces for E-to-Z and Z-to-E photoisomerization of dMe-OMe-NAIP up to S1(ππ*) excitation.


2020 ◽  
Vol 33 (5) ◽  
pp. 649-652
Author(s):  
Fang-fang Li ◽  
Yu-jie Ma ◽  
Jia-xing Liu ◽  
Guan-jun Wang ◽  
Feng-yan Wang
Keyword(s):  

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