scholarly journals Globally accurate potential energy surface for the ground-state HCS(X2A′) and its use in reaction dynamics

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Yu-Zhi Song ◽  
Lu-Lu Zhang ◽  
Shou-Bao Gao ◽  
Qing-Tian Meng
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ground State ◽  
Energy Surface ◽  
Reaction Dynamics

Accurate Global Potential Energy Surface and Reaction Dynamics for the Ground State of HgBr2

2005 ◽  
Vol 109 (39) ◽  
pp. 8765-8773 ◽  
Author(s):  
Nikolai B. Balabanov ◽  
Benjamin C. Shepler ◽  
Kirk A. Peterson
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ground State ◽  
Energy Surface ◽  
Reaction Dynamics

scholarly journals Low temperature reaction dynamics for CH3OH + OH collisions on a new full dimensional potential energy surface

2018 ◽  
Vol 20 (40) ◽  
pp. 25951-25958 ◽  
Author(s):  
Octavio Roncero ◽  
Alexandre Zanchet ◽  
Alfredo Aguado
Keyword(s):  
Low Temperature ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Low Temperatures ◽  
Organic Molecules ◽  
Energy Surface ◽  
Reaction Dynamics ◽  
Buffer Gas ◽  
Temperature Reaction ◽  
Formation Of Complexes

Is the rise of the rate constant measured in laval expansion experiments of OH with organic molecules at low temperatures due to the reaction between the reactants or due to the formation of complexes with the buffer gas?

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