Topological studies of the charge density of some group 2 metallocenes M(η5-C5H5)2 (M = Mg or Ca)

Canadian Journal of Chemistry

Volumn 74, Issue 6, 1996, Pages 1059-1071

  Bytheway, Ian ^a   Popelier, Paul L A ^b   Gillespie, Ronald J ^c  

^a UNIVERSITY OF SYDNEY   (Australia)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c MCMASTER UNIVERSITY   (Canada)

Author keywords

Atoms in molecules; Charge density; Group 2 metallocenes; Laplacian of ; VSEPR

Indexed keywords

CHARGE DENSITY; CYCLOPENTADIENYL LIGANDS; DENSITY FUNCTIONAL THEORY; DISTORTED CORE; METALLOCENES; POLARIZING FIELDS; VALENCE SHELL ELECTRON PAIR REPULSION;

ALGORITHMS; ATOMS; CALCIUM COMPOUNDS; CARRIER CONCENTRATION; LAPLACE TRANSFORMS; MAGNESIUM COMPOUNDS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; TOPOLOGY;

ORGANOMETALLICS;

EID: 0030173057     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v96-119     Document Type: Article

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