Classical trajectory calculation of the benzene overtone spectra

1988 ◽  
Vol 92 (11) ◽  
pp. 3217-3225 ◽  
Author(s):  
Da Hong Lu ◽  
William L. Hase
Keyword(s):  
Classical Trajectory ◽  
Trajectory Calculation

Classical trajectory calculation of transport and relaxation properties of O2-He, Ne mixtures

1993 ◽  
Vol 78 (3) ◽  
pp. 499-531 ◽  
Author(s):  
Clement C.K. Wong ◽  
Frederick R.W. McCourt ◽  
Gregory C. Corey
Keyword(s):  
Classical Trajectory ◽  
Relaxation Properties ◽  
Trajectory Calculation

Distribution of reaction products (theory). VII. D+ + H2 → DH + H+ using an ab initio potential-energy surface

1969 ◽  
Vol 47 (21) ◽  
pp. 4097-4099 ◽  
Author(s):  
I. G. Csizmadia ◽  
J. C. Polanyi ◽  
A. C. Roach ◽  
W. H. Wong
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Three Dimensional ◽  
Classical Trajectory ◽  
Reaction Products ◽  
Trajectory Calculation

A three-dimensional classical trajectory calculation has been made of the dynamics of the reaction D+ + H2 → DH + H+. In contrast to earlier trajectory studies the potential-energy surface was obtained ab initio, consequently the results have predictive interest.

Classical trajectory calculation of transport and relaxation properties for CO2-He mixtures

1991 ◽  
Vol 74 (3) ◽  
pp. 497-513 ◽  
Author(s):  
Clement C.K. Wong ◽  
Ernest E. Hanson ◽  
Frederick R.W. McCourt
Keyword(s):  
Classical Trajectory ◽  
Relaxation Properties ◽  
Trajectory Calculation
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