Acrylonitrile (AN)-Cu9(100) interfaces: Electron distribution and nature of bonded interactions

Canadian Journal of Chemistry

Volumn 81, Issue 6, 2003, Pages 542-554

  Mitrasinovic, Petar M ^a  

^a UNIVERSITY OF MONS   (Belgium)

Author keywords

AIM; AN Cu9(100) interfaces; Bonded interactions; Electron distribution; NBO NAO population

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; COPPER; INTERFACES (MATERIALS); LAPLACE TRANSFORMS; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY (DFT); MOLECULAR ORBITALS;

ACRYLIC MONOMERS;

ACRYLONITRILE; COPPER DERIVATIVE;

ARTICLE; CHEMICAL INTERACTION; DENSITY; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; QUANTUM CHEMISTRY; QUANTUM MECHANICS; SURFACE PROPERTY;

EID: 0041327752     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v03-043     Document Type: Article

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