引用本文:
Shu Xia YIN, Yan WANG, WenLin FENG. A Theoretical Study on Nonadiabatic Trapping Models of the Reaction NH+H←→N+H2[J]. Chinese Chemical Letters,
1999, 10(3): 207-208.
Citation: Shu Xia YIN, Yan WANG, WenLin FENG. A Theoretical Study on Nonadiabatic Trapping Models of the Reaction NH+H←→N+H2[J]. Chinese Chemical Letters, 1999, 10(3): 207-208.
Citation: Shu Xia YIN, Yan WANG, WenLin FENG. A Theoretical Study on Nonadiabatic Trapping Models of the Reaction NH+H←→N+H2[J]. Chinese Chemical Letters, 1999, 10(3): 207-208.
A Theoretical Study on Nonadiabatic Trapping Models of the Reaction NH+H←→N+H2
摘要:
The properties of nonadiabatic trapping models of the reaction NH+H -N+H2 are investigated in a collinear model as well as a non-collinear thermal reaction on the basis of the intrinsic reaction coordinate (IRC) information obtained by ab initio calculations at QCISD/631IG** level.Using the unified statistical theory fornonadiabatic trapping models.the thermal rate constants over the temperature range of 2000-3000K are computed which are in excellent agreement with the experiment results.
English
A Theoretical Study on Nonadiabatic Trapping Models of the Reaction NH+H←→N+H2
Abstract:
The properties of nonadiabatic trapping models of the reaction NH+H -N+H2 are investigated in a collinear model as well as a non-collinear thermal reaction on the basis of the intrinsic reaction coordinate (IRC) information obtained by ab initio calculations at QCISD/631IG** level.Using the unified statistical theory fornonadiabatic trapping models.the thermal rate constants over the temperature range of 2000-3000K are computed which are in excellent agreement with the experiment results.
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