Relative energies of C2O2H2 isomers and their ionized counterparts: Possibility of bond stretch isomerism

Journal of Molecular Structure: THEOCHEM

Volumn 714, Issue 2-3, 2005, Pages 199-207

  Vijay, Dolly ^a   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

Ab initio; Bond stretch isomerism; C2O2H2 isomers; Cation and anion radicals; DFT

Indexed keywords

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; IONIZATION; ISOMER; ISOMERISM; STRUCTURE ANALYSIS; SURFACE PROPERTY;

EID: 15944396115     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.11.012     Document Type: Article

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