960化工网
Reaction-volume approach to N-particle reactions: new optimization scheme for defining the reaction volume
Physical Chemistry Chemical Physics Pub Date : , DOI:10.1039/A904395K
Abstract

We present a new numerical scheme for determining the reaction volume reference vectors, frequencies, coupling elements and other quantities necessary for a dynamical treatment of polyatomic three center reactions. As an example the H2+CN→HCN+H reaction is considered.

平台客服
平台客服
平台在线客服