POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics-Reference-Cited by-同舟云学术

POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics

Published:1992-09 Issue:3 Volume:71 Page:235-262
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Lu Da-hong,Truong Thanh N.,Melissas Vasilios S.,Lynch Gillian C.,Liu Yi-Ping,Garrett Bruce C.,Steckler Rozeanne,Isaacson Alan D.,Rai Sachchida N.,Hancock Gene C.,Lauderdale J.G.,Joseph Tomi,Truhlar Donald G.

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference64 articles.

1. POLYRATE: A general computer program for variational transition state theory and semiclassical tunneling calculations of chemical reaction rates

2. Improved treatment of threshold contributions in variational transition-state theory

3. A general small-curvature approximation for transition-state-theory transmission coefficients

4. Polyatomic canonical variational theory for chemical reaction rates. Separable‐mode formalism with application to OH+H2→H2O+H

5. Incorporation of quantum effects in generalized-transition-state theory

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