Ab initio study, semiempirical calculation and NMR spectroscopy of keto-enol tautomerism of triazolopyrimidines

Journal of Molecular Structure: THEOCHEM

Volumn 401, Issue 1-2, 1997, Pages 1-14

  Koch, A ^a   Thomas, S ^a   Kleinpeter, E ^a  

^a UNIVERSITY OF POTSDAM   (Germany)

Author keywords

Keto enol tautomerism; MNDO AM1 and ab initio calculations; MNDO PM3; NMR data; SCI PCM model; Solvent effects

Indexed keywords

EID: 84962476734     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)05028-2     Document Type: Article

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