The structure and chemical bonding in the N2 - CuX and N 2⋯ XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and quantum chemical topology methods

Journal of Computational Chemistry

Volumn 29, Issue 16, 2008, Pages 2677-2692

  Kisowska, Karolina ^a   Berski, Slawomir ^a   Latajka, Zdzislaw ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

AIM; Bader; Electron delocalization; Electron localization function; Natural orbitais; NBO; NPA; SAPT; Topology; Van der Waals complex

Indexed keywords

ASYMPTOTIC ANALYSIS; CARRIER CONCENTRATION; CHEMICAL ANALYSIS; CHEMICAL BONDS; CHLORINE COMPOUNDS; COORDINATION REACTIONS; COPPER; ELECTRON DENSITY MEASUREMENT; ELECTRONS; HALOGEN COMPOUNDS; MOLECULAR ORBITALS; PROBABILITY DENSITY FUNCTION; SYSTEM STABILITY; TOPOLOGY; VAN DER WAALS FORCES;

AIM; BADER; ELECTRON LOCALIZATION FUNCTION; NATURAL ORBITAIS; NBO; NPA; SAPT; VAN DER WAALS COMPLEX;

COVALENT BONDS;

COPPER; HALOGEN; NITROGEN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; STATIC ELECTRICITY;

COPPER; HALOGENS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITROGEN; STATIC ELECTRICITY;

EID: 57049161957     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21010     Document Type: Article

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