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Computer Physics Communications

Volumn 109, Issue 1, 1998, Pages 47-54

ABCRATE: A program for the calculation of atom-diatom reaction rates

(4) Garrett, Bruce C a Lynch, Gillian C b,c Allison, Thomas C b Truhlar, Donald G b

a PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

b UNIVERSITY OF MINNESOTA (United States)

c UNIVERSITY OF HOUSTON (United States)

Author keywords

Chemical reaction rates; Kinetics; Tunneling; Variational transition state theory

Indexed keywords

ATOMS; ELECTRON TUNNELING; MOLECULAR DYNAMICS; REACTION KINETICS;

CHEMICAL REACTION RATES; DIATOM; GENERALIZED TRANSITION STATE THEORY; LARGE CURVATURE TUNNELING; LEAST ACTION TUNNELING; SMALL CURVATURE TUNNELING; VARIATIONAL TRANSITION STATE THEORY; ZERO CURVATURE TUNNELING;

COMPUTER SOFTWARE;

EID: 0032024345 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/S0010-4655(97)00137-9 Document Type: Article

Times cited : (17)

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