MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory-Reference-Cited by-同舟云学术

MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory

Published:1993-04 Issue:1-2 Volume:75 Page:143-159
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

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

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference67 articles.

1. Accurate Quantum Chemical Calculations

2. Development and use of quantum molecular models. 75. Comparative tests of theoretical procedures for studying chemical reactions

3. Potential energy surfaces for polyatomic reaction dynamics

4. The Theory of Rate Processes;Glasstone,1941

5. Gas Phase Reaction Rate Theory;Johnston,1966

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