De novo ligand design: Understanding stereoselective olefin binding to [(η5-C5H5)Re(NO)(PPH3)]+ with molecular mechanics, semiempirical quantum mechanics, and density functional theory

Organometallics

Volumn 21, Issue 19, 2002, Pages 3913-3921

  Gillespi, Aaron M ^a   Morello, Glenn R ^a   White, David P ^a,b  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

^b AAI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CONFORMATIONS; ISOMERS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; STEREOCHEMISTRY;

MOLECULAR MECHANICS;

ORGANOMETALLICS;

EID: 0038262960     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om020386h     Document Type: Article

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