A quantum model Hamiltonian to treat reactions of the type X+YCZ(3)-> XY+CZ(3): Application to O(P-3)+CH4 -> OH+CH3
In this paper we present a model Hamiltonian to treat the dynamics of reactions of the general type X+YCZ3→XY+CZ3, where the CZ3 group has C3v symmetry. The main assumption of the model is that CZ3 maintains its symmetry during the reaction. The Hamiltonian we derive can be used as the starting poin...
Үндсэн зохиолчид: | Palma, J, Clary, D |
---|---|
Формат: | Journal article |
Хэл сонгох: | English |
Хэвлэсэн: |
2000
|
Ижил төстэй зүйлс
-
Quantum dynamics of the O(P-3)+CH4 -> CH3+OH reaction
-н: Clary, D
Хэвлэсэн: (1999) -
The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(P-3)+CH4 -> OH+CH3 reaction
-н: Palma, J, зэрэг
Хэвлэсэн: (2000) -
A simplified reduced-dimensionality study to treat reactions of the type X+CZ(3)Y -> XY+CZ(3)
-н: Kerkeni, B, зэрэг
Хэвлэсэн: (2003) -
Quantum dynamics of the Walden inversion reaction Cl-+CH3Cl->ClCH3+Cl-
-н: Clary, D, зэрэг
Хэвлэсэн: (1997) -
Application of One-Dimensional Semiclassical Transition State Theory to the CH3OH+H -> CH2OH/CH3O+H2 Reactions
-н: Shan, X, зэрэг
Хэвлэсэн: (2018)