Differential Cross Sections for the F + H2Reaction: A Comparison of Classical Trajectory Results for Two Potential Energy Surfaces

1997 ◽  
Vol 44 (6) ◽  
pp. 635-639
Author(s):  
Frank E. Budenholzer ◽  
Miao-Chuan Lin
Keyword(s):  
Potential Energy ◽  
Cross Sections ◽  
Differential Cross ◽  
Potential Energy Surfaces ◽  
Classical Trajectory ◽  
Differential Cross Sections ◽  
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.

scholarly journals Validating potential energy surfaces for classical trajectory calculations

RSC Advances ◽  
2015 ◽  
Vol 5 (77) ◽  
pp. 62805-62812 ◽  
Author(s):  
Huw O. Pritchard
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Classical Trajectory ◽  
Energy Distributions ◽  
Trajectory Calculations ◽  
Energy Surfaces

Potential energy distributions for normal and reacting molecules.

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