Density functional study of aurophilic interaction in Cl(AuPH 3)2+ and in its dimerization

International Journal of Quantum Chemistry

Volumn 109, Issue 3, 2009, Pages 526-533

  Fang, Hua ^a   Wang, Shu Guang ^b   Zhang, Xiao Gang ^a  

^a NANJING UNIVERSITY OF AERONAUTICS AND ASTRONAUTICS   (China)

^b SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Aurophilic interaction; Closed shell; Density functional; Electron density; Electronic structure

Indexed keywords

CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; MECHANISMS;

AUROPHILIC INTERACTION; CLOSED-SHELL; DENSITY FUNCTIONAL; ELECTRON DENSITY; GEOMETRIC STRUCTURES; INTERACTION ENERGIES; MULLIKEN POPULATIONS; QUANTUM MECHANICALS; STRUCTURE PARAMETERS; TITLE COMPOUNDS;

FLOW INTERACTIONS;

EID: 58149267463     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21810     Document Type: Article

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