SCOPUS 정보 검색 플랫폼

Volumn 75, Issue 1-2, 1993, Pages 143-159

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

(14) Truong, Thanh N a Lu, Da hong a Lynch, Gillian C a Liu, Yi Ping a Melissas, Vasilios S a Stewart, James J P b Steckler, Rozeanne c Garrett, Bruce C d Isaacson, Alan D e Gonzalez Lafont, Angels f Rai, Sachchida N a Hancock, Gene C a Joseph, Tomi a Truhlar, Donald G a

a UNIVERSITY OF MINNESOTA (United States)

b Stewart Computational Chemistry (United States)

c UNIVERSITY OF CALIFORNIA (United States)

d PACIFIC NORTHWEST NATIONAL LABORATORY (United States)

e MIAMI UNIVERSITY (United States)

f UNIVERSITAT AUTÒNOMA DE BARCELONA (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; CHEMICAL REACTIONS; DYNAMICS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRON TUNNELING; GASES; MATHEMATICAL MODELS; MOLECULAR PHYSICS; NUMERICAL METHODS; VARIATIONAL TECHNIQUES;

DIRECT DYNAMICS CALCULATIONS; GAS PHASE CHEMICAL REACTIONS; SEMIEMPIRICAL MOLECULAR ORBITAL THEORY; SOFTWARE PACKAGE MORATE (MOLECULAR ORBITAL RATE CALCULATIONS);

COMPUTER SOFTWARE;

EID: 0027577788 PISSN: 00104655 EISSN: None Source Type: Journal
DOI: 10.1016/0010-4655(93)90172-9 Document Type: Article

Times cited : (87)

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