scholarly journals Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole

2011 ◽  
Vol 135 (15) ◽  
pp. 154310 ◽  
Author(s):  
S. Faraji ◽  
M. Vazdar ◽  
V. Sivaranjana Reddy ◽  
M. Eckert-Maksic ◽  
H. Lischka ◽  
...  
Keyword(s):  
Ab Initio ◽  
Dynamical Study ◽  
Quantum Dynamical

Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine

2015 ◽  
pp. 176-179
Author(s):  
Manabu Kanno ◽  
Yuta Ito ◽  
Noriyuki Shimakura ◽  
Shiro Koseki ◽  
Hirohiko Kono ◽  
...  
Keyword(s):  
Ab Initio ◽  
Nonradiative Transition ◽  
Dynamical Study ◽  
Quantum Dynamical ◽  
Transition Pathways

Ab initio quantum dynamical study of photoinduced ring opening in furan

2011 ◽  
Vol 135 (16) ◽  
pp. 164305 ◽  
Author(s):  
E. V. Gromov ◽  
C. Lévêque ◽  
F. Gatti ◽  
I. Burghardt ◽  
H. Köppel
Keyword(s):  
Ab Initio ◽  
Ring Opening ◽  
Dynamical Study ◽  
Quantum Dynamical

Quantum dynamical study of heavy-light-heavy reactions: application to the (Cl + CH4 → HCl + CH3) reaction

2015 ◽  
Vol 56 (7) ◽  
pp. 1299-1304
Author(s):  
A. H. Moussa ◽  
M. Shalaby ◽  
H. Talaat ◽  
S. El-Wallid Sedik ◽  
M. T. El-Din Kamal
Keyword(s):  
Dynamical Study ◽  
Quantum Dynamical

A quantum dynamical study of CH overtones in fluoroform. II. Eigenstate analysis of the vCH=1 and vCH=2 regions

1997 ◽  
Vol 106 (23) ◽  
pp. 9483-9496 ◽  
Author(s):  
Andrew Maynard ◽  
Robert E. Wyatt ◽  
Christopher Iung
Keyword(s):  
Dynamical Study ◽  
Quantum Dynamical
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