Ab initio charge density analysis of (B6C)2- and B4C3 species - How to describe the bonding pattern?

Canadian Journal of Chemistry

Volumn 84, Issue 5, 2006, Pages 771-781

  Foroutan Nejad, Cina ^a   Shafiee, Gholam Hossein ^b   Sadjadi, Abdolreza ^b   Shahbazian, Shant ^c  

^a UNIVERSITY OF TEHRAN   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Ab initio methods; Charge density analysis; Hexacoordinate carbon; Hypervalency; Quantum theory of atoms in molecules

Indexed keywords

BORON; MOLECULAR DYNAMICS; NEGATIVE IONS; QUANTUM THEORY; TOPOLOGY;

AB INITIO METHODS; CHARGE DENSITY ANALYSIS; HEXACOORDINATE CARBON; HYPERVALENCY; QUANTUM THEORY OF ATOMS IN MOLECULES;

CURRENT DENSITY;

BORON; CARBON;

AB INITIO CALCULATION; ARTICLE; ATOM; COVALENT BOND; GEOMETRY; METHODOLOGY; MOLECULAR BIOLOGY; QUANTUM THEORY;

EID: 33747079910     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/V06-059     Document Type: Article

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