Valence bond and molecular orbital studies of three N2O isomers, and valence bond representations for some azide decompositions

Journal of Molecular Modeling

Volumn 7, Issue 7, 2001, Pages 271-277

  Harcourt, Richard D ^a   Wang, Feng ^a,c   Klapötke, Thomas M ^b  

^a UNIVERSITY OF MELBOURNE   (Australia)

^b UNIVERSITY OF MUNICH   (Germany)

^c Victorian Parnership for Advanced Computing VPAC   (Australia)

Author keywords

Density functional; Hexa(azidomethyl)benzene; Nitrous oxide isomers; Oxygen diazide; Valence bond

Indexed keywords

AZIDE; NITROUS OXIDE; RADICAL; SINGLET OXYGEN;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; CONTROLLED STUDY; DECOMPOSITION; DENSITY; ENERGY; ISOMER; LINEAR SYSTEM; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PRIORITY JOURNAL; QUALITATIVE ANALYSIS; STRUCTURE ANALYSIS;

EID: 0035789133     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/S008940100028     Document Type: Article

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