Ab initio and DFT studies on tautomerism of indazole in gaseous and aqueous phases

Journal of Molecular Structure: THEOCHEM

Volumn 686, Issue 1-3, 2004, Pages 83-89

  Anandan, K ^a   Kolandaivel, P ^b   Kumaresan, R ^c  

^a NGM COLLEGE   (India)

^b BHARATHIAR UNIVERSITY   (India)

^c GOVERNMENT ARTS COLLEGE   (India)

Author keywords

13C NMR chemical shift; Fukui function; Indazole; Maximum hardness principle; Relative stability; Tautomerism

Indexed keywords

INDAZOLE DERIVATIVE;

AB INITIO CALCULATION; AQUEOUS SOLUTION; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; GAS; HARDNESS; MOLECULAR STABILITY; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 7044220512     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.08.014     Document Type: Article

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