Quantum wavepacket dynamics of the N(4S) + NO(X2Π) reaction and its isotopic variants: Integral cross sections and thermal rate constants

2016 ◽  
Vol 475 ◽  
pp. 83-89 ◽  
Author(s):  
V. Manivannan ◽  
R. Padmanaban
Keyword(s):  
Cross Sections ◽  
Rate Constants ◽  
Quantum Wavepacket ◽  
Thermal Rate Constants ◽  
Wavepacket Dynamics

Dynamics and resonances of the H(2S) + CH+(X1Σ+) reaction in the electronic ground state: a detailed quantum wavepacket study

2017 ◽  
Vol 19 (30) ◽  
pp. 20172-20187 ◽  
Author(s):  
P. Sundaram ◽  
V. Manivannan ◽  
R. Padmanaban
Keyword(s):  
Wave Packet ◽  
Cross Sections ◽  
Ground State ◽  
Rate Constants ◽  
Electronic Ground State ◽  
Time Dependent ◽  
Initial State ◽  
Quantum Wavepacket ◽  
Thermal Rate Constants ◽  
Electronic Ground

Initial state-selected and energy resolved channel-specific reaction probabilities, integral cross sections and thermal rate constants of the H(2S) + CH+(X1Σ+) reaction are calculated within the coupled states approximation by a time-dependent wave packet propagation method. The resonances formed during the course of the reaction are also identified.

Comparison of the cross-sections and thermal rate constants for the reactions of C(3PJ) atoms with O2 and NO

2000 ◽  
Vol 2 (13) ◽  
pp. 2873-2881 ◽  
Author(s):  
Wolf D. Geppert ◽  
Denis Reignier ◽  
Thierry Stoecklin ◽  
Christian Naulin ◽  
Michel Costes ◽  
...  
Keyword(s):  
Cross Sections ◽  
Rate Constants ◽  
Thermal Rate Constants ◽  
The Cross

Quantum mechanical integral cross sections and rate constants for the F+HD reactions

2000 ◽  
Vol 112 (22) ◽  
pp. 9802-9809 ◽  
Author(s):  
Dong H. Zhang ◽  
Soo-Y. Lee ◽  
Michael Baer
Keyword(s):  
Cross Sections ◽  
Rate Constants ◽  
Quantum Mechanical

Factors Affecting the Branching Ratio of Photodissociation: Thiophenol Studied through Quantum Wavepacket Dynamics

ChemPhysChem ◽  
2015 ◽  
Vol 16 (7) ◽  
pp. 1529-1534 ◽  
Author(s):  
Heesun An ◽  
Heechol Choi ◽  
Yoon Sup Lee ◽  
Kyoung Koo Baeck
Keyword(s):  
Branching Ratio ◽  
Factors Affecting ◽  
Quantum Wavepacket ◽  
Wavepacket Dynamics
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