Ab initio quantum mechanical characterization of platinum, palladium, and nickel complexes of L-ascorbic acid

International Journal of Quantum Chemistry

Volumn 90, Issue 2, 2002, Pages 882-887

  Chass, Gregory A ^a   Sahai, Michelle A ^b   Law, Jacqueline M S ^b,c   Lovas, Sandor ^d   Farkas, Ödön ^e   Perczel, Andras ^b,d   Rivail, Jean Louis ^c   Csizmadia, Imre G ^e  

^a DEFENCE RESEARCH AND DEVELOPMENT CANADA   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

^c CREIGHTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

^d EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^e UNIVERSITÉ DE LORRAINE   (France)

Author keywords

Bonding; Cisplatinum; Metallic ascorbate complex; Platinum II complex; Total overlap population

Indexed keywords

AMINES; CALCULATIONS; CHELATION; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRONIC PROPERTIES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NICKEL; PALLADIUM; PLATINUM; VITAMINS;

AB INITIO MOLECULAR ORBITAL METHOD; CHELATING LIGAND; L-ASCORBIC ACID; METALLIC ASCORBATE COMPLEX; TOTAL OVERLAP POPULATION;

QUANTUM THEORY;

EID: 0037108064     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.950     Document Type: Article

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