Electric properties of BH, CO and H2O molecules by density functional response approach

Journal of Molecular Structure: THEOCHEM

Volumn 676, Issue 1-3, 2004, Pages 89-95

  Sophy, K B ^a   Pal, Sourav ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

Author keywords

Coupled perturbed Kohn Sham; Density functional theory; Electric properties; Finite field approximation; Response approach

Indexed keywords

CARBON MONOXIDE; CHEMICAL COMPOUND; WATER;

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ELECTRON; ENERGY; EVALUATION; MOLECULE; QUALITY CONTROL;

EID: 1942500890     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.03.002     Document Type: Article

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