Issue 18, 1999

Reaction-volume approach to N-particle reactions: new optimization scheme for defining the reaction volume

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.

Article information

Article type
Paper

Phys. Chem. Chem. Phys., 1999,1, 4141-4149

Reaction-volume approach to N-particle reactions: new optimization scheme for defining the reaction volume

C. Coletti and G. Due Billing, Phys. Chem. Chem. Phys., 1999, 1, 4141 DOI: 10.1039/A904395K

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