Analytical potential energy surface for the CH4+O(3P)→CH3+OH reaction. Thermal rate constants and kinetic isotope effects

2000 ◽  
Vol 2 (10) ◽  
pp. 2345-2351 ◽  
Author(s):  
J. Espinosa-García ◽  
J. C. García-Bernáldez
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Rate Constants ◽  
Energy Surface ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
Thermal Rate Constants ◽  
Analytical Potential

The SiH4+H→SiH3+H2 reaction: Potential energy surface, rate constants, and kinetic isotope effects

1998 ◽  
Vol 109 (2) ◽  
pp. 466-473 ◽  
Author(s):  
J. Espinosa-Garcı́a ◽  
J. Sansón ◽  
J. C. Corchado
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Rate Constants ◽  
Energy Surface ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
Reaction Potential

An Improved Potential Energy Surface for the H2Cl System and Its Use for Calculations of Rate Coefficients and Kinetic Isotope Effects

1996 ◽  
Vol 100 (32) ◽  
pp. 13575-13587 ◽  
Author(s):  
Thomas C. Allison ◽  
Gillian C. Lynch ◽  
Donald G. Truhlar ◽  
Mark S. Gordon
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Rate Coefficients ◽  
Kinetic Isotope
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