SCOPUS 정보 검색 플랫폼

Computers and Chemistry

Volumn 25, Issue 1, 2001, Pages 15-38

Individually selecting multi-reference CI and its application to biradicalic cyclizations

(3) Engels, Bernd a Hanrath, Michael b Lennartz, Christian b

a UNIVERSITY OF WÜRZBURG (Germany)

b UNIVERSITY OF BONN (Germany)

Author keywords

Biradical cyclization; Molecular orbitals; Multi reference CI

Indexed keywords

ACTIVATION ENERGY; ALGORITHMS; HYDROCARBONS; MATRIX ALGEBRA; REACTION KINETICS;

BIRADICAL CYCLIZATION; DENSITY FUNCTIONAL THEORY; HEPTATRIENEYNE; MOLECULAR ORBITALS; MULTIREFERENCE CONFIGURATION INTERACTION METHOD;

QUANTUM THEORY;

EID: 0034744616 PISSN: 00978485 EISSN: None Source Type: Journal
DOI: 10.1016/S0097-8485(00)00086-3 Document Type: Article

Times cited : (29)

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