DFT studies of structures and enatiomerization mechanisms of bis-chelate complexes of Group 12 elements

Inorganica Chimica Acta

Volumn 353, Issue , 2003, Pages 15-21

  Lo, John M H ^a   Klobukowski, Mariusz ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

Bis chelate complexes; Density functional theory; Digonal twist mechanisms; Solvent effects; Zn, Cd and Hg complexes

Indexed keywords

CADMIUM COMPOUNDS; CHELATION; CONTINUUM MECHANICS; COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; GROUND STATE; MERCURY COMPOUNDS; NICKEL COMPOUNDS; QUANTUM CHEMISTRY; SOLVENTS;

AB - INITIO HARTREE-FOCK; BIS-CHELATE COMPLEXES; DENSITY-FUNCTIONAL METHODS; FORMATION MECHANISM; GROUND-STATE STRUCTURES; HG COMPLEXES; POLARIZABLE CONTINUUM MODEL; SOLVENT EFFECTS;

ZINC COMPOUNDS;

ACETIC ACID DERIVATIVE; CADMIUM; CHELATE; HYDROGEN; MALONALDEHYDE; MERCURY DERIVATIVE; SCHIFF BASE; ZINC COMPLEX;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; DENSITY; ENANTIOMERIZATION; SOLVATION;

EID: 0141852042     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0020-1693(03)00217-2     Document Type: Article

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