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Journal of Molecular Catalysis A: Chemical

Volumn 188, Issue 1-2, 2002, Pages 173-187

Issues involved in using MCSCF to investigate catalytic sites involving transition metals

(2) Kim, Bryan H a Lund, Carl R F a

a State University of New York (United States)

Author keywords

DFT; Iron carbonyl; Iron chloride; MCSCF

Indexed keywords

ELECTRONIC STRUCTURE; MOLECULES; TRANSITION METALS;

HETEROGENOUS CATALYTIC SITES;

CATALYSIS;

CARBONYL IRON; FERRIC CHLORIDE;

ARTICLE; CATALYSIS; DENSITY; ELECTRONICS; GEOMETRY; OXIDATION; QUANTUM MECHANICS; STANDARDIZATION;

EID: 0037200976 PISSN: 13811169 EISSN: None Source Type: Journal
DOI: 10.1016/S1381-1169(02)00243-1 Document Type: Article

Times cited : (3)

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