Theoretical insights into the trends in molecular properties of HCY, HSiY and HGeY molecules where Y = N, P, As

Journal of Molecular Modeling

Volumn 16, Issue 6, 2010, Pages 1075-1084

  Nazari, Fariba ^a   Ansari, Narjes ^a  

^a INSTITUTE FOR ADVANCED STUDIES IN BASIC SCIENCES IASBS   (Iran)

Author keywords

AIM; B3LYP; Dual descriptor; HCN; MESP; MP2; NBO; QCISD; TD B3LYP

Indexed keywords

ARSENIC; NITROGEN; PHOSPHORUS;

ARTICLE; ATOM; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; PRIORITY JOURNAL; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; ARSENICALS; COMPUTER SIMULATION; ENERGY TRANSFER; GERMANIUM; HYDROGEN CYANIDE; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; PHOSPHORUS COMPOUNDS; SILICON DIOXIDE;

CONGRIDAE;

EID: 77955092316     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0600-4     Document Type: Article

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