POLYRATE 6.5: 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 6.5: A new version of a computer program for the calculation of chemical reaction rates for polyatomics

Published:1995-08 Issue:2-3 Volume:88 Page:341-343
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Steckler Rozeanne,Hu Wei-Ping,Liu Yi-Ping,Lynch Gillian C.,Garrett Bruce C.,Isaacson Alan D.,Melissas Vasilios S.,Lu Da-hong,Truong Thanh N.,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

Reference7 articles.

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

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

3. Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene

4. Direct dynamics calculation of the kinetic isotope effect for an organic hydrogen-transfer reaction, including corner-cutting tunneling in 21 dimensions

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