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Journal of Molecular Structure: THEOCHEM

Volumn 572, Issue , 2001, Pages 5-13

A theoretical study of tautomerism of 2,6-dithioxanthine in the gas and aqueous phases using AM1 and PM3 methods

Author keywords

2,6 Dithioxanthine; AM1, PM3 semiempirical calculation; Dipole moment; Ionisation potential; Tautomeric equilibrium constant; Tautomerism

Indexed keywords

2,6 DITHIOXANTHINE; UNCLASSIFIED DRUG; XANTHINE DERIVATIVE;

ANALYTIC METHOD; AQUEOUS SOLUTION; ARTICLE; CHEMICAL STRUCTURE; DIPOLE; ENERGY; ENTHALPY; ENTROPY; GAS; IONIZATION; ISOMERISM; MOLECULAR STABILITY; QUANTUM MECHANICS; ULTRAVIOLET RADIATION;

EID: 0035903931 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00572-3 Document Type: Article

Times cited : (1)

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