화학공학소재연구정보센터
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No. Article
1 Potential energy surface for a seven-atom reaction. Thermal rate constants and kinetic isotope effects for CH4+OH
Espinosa-Garcia J, Corchado JC
Journal of Chemical Physics, 112(13), 5731, 2000
2 Dual-level direct dynamics of the hydroxyl radical reaction with ethane and haloethanes: Toward a general reaction parameter method
Sekusak S, Cory MG, Bartlett RJ, Sabljic A
Journal of Physical Chemistry A, 103(51), 11394, 1999
3 Interpolated variational transition-state theory by mapping
Corchado JC, Coitino EL, Chuang YY, Fast PL, Truhlar DG
Journal of Physical Chemistry A, 102(14), 2424, 1998
4 Dual-level direct dynamics calculations of the reaction rates for a Jahn-Teller reaction : Hydrogen abstraction from CH4 or CD4 by O(P-3)
Corchado JC, Espinosa-Garcia J, Roberto-Neto O, Chuang YY, Truhlar DG
Journal of Physical Chemistry A, 102(25), 4899, 1998
5 Reaction-Path Dynamics of Hydroxyl Radical Reactions with Ethane and Haloethanes
Sekusak S, Liedl KR, Rode BM, Sabljic A
Journal of Physical Chemistry A, 101(23), 4245, 1997
6 Ab-Initio Study of Hydrogen Abstraction Reactions
Basch H, Hoz S
Journal of Physical Chemistry A, 101(24), 4416, 1997
7 Theoretical-Study of the Ch4+f-)Ch3+fh Reaction .2. Semiempirical Surfaces
Corchado JC, Espinosagarcia J
Journal of Chemical Physics, 105(8), 3160, 1996