scholarly journals Dynamics Study of the O + HO2Reaction Using Two DMBE Potential Energy Surfaces:  The Role of Vibrational Excitation†

2004 ◽  
Vol 108 (41) ◽  
pp. 8721-8730 ◽  
Author(s):  
Dora M. Silveira ◽  
Pedro J. S. B. Caridade ◽  
António J. C. Varandas
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Vibrational Excitation ◽  
Energy Surfaces

Exploring the potential energy surfaces of association of NO with aminoacids and related organic functional groups: the role of entropy of association

2007 ◽  
Vol 118 (3) ◽  
pp. 649-663 ◽  
Author(s):  
Rachel Crespo-Otero ◽  
Yoana Pérez-Badell ◽  
Juan Alexander Padrón-García ◽  
Luis Alberto Montero-Cabrera
Keyword(s):  
Potential Energy ◽  
Functional Groups ◽  
Potential Energy Surfaces ◽  
Organic Functional Groups ◽  
Energy Surfaces

Potential-energy surfaces related to the thermal decomposition of ethyl azide: The role of intersystem crossings

2000 ◽  
Vol 113 (6) ◽  
pp. 2282-2289 ◽  
Author(s):  
Juan F. Arenas ◽  
Juan I. Marcos ◽  
Isabel López-Tocón ◽  
Juan C. Otero ◽  
Juan Soto
Keyword(s):  
Thermal Decomposition ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Energy Surfaces

New ab initio potential energy surfaces for the ro-vibrational excitation of OH(X2Π) by He

2014 ◽  
Vol 16 (26) ◽  
pp. 13500-13507 ◽  
Author(s):  
Yulia Kalugina ◽  
François Lique ◽  
Sarantos Marinakis
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Cross Sections ◽  
Differential Cross ◽  
Potential Energy Surfaces ◽  
Vibrational Excitation ◽  
Three Dimensional ◽  
Rate Coefficients ◽  
Differential Cross Sections ◽  
Energy Surfaces

A new, three-dimensional potential energy is presented. Values for integral and differential cross sections, and for inelastic rate coefficients were obtained. The results agree and significantly extend previous studies on OH(X) + He collisions.

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