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Journal of Molecular Structure: THEOCHEM

Volumn 546, Issue 1-3, 2001, Pages 163-173

Tautomerism of 2-thioxanthine in the gas and aqueous phases using AM1 and PM3 methods

(1) Civcir, Pervin Ünal a

a ANKARA UNIVERSITY (Turkey)

Author keywords

2 Thioxanthine; AM1; COSMO; Dipole moment; Ionisation potential; PM3 semiempirical calculation; Tautomerism

Indexed keywords

2 THIOXANTHINE; THIOXANTHENE DERIVATIVE; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; BINDING AFFINITY; CALCULATION; CHEMICAL ANALYSIS; DIPOLE; ENERGY; ENTROPY; EQUILIBRIUM CONSTANT; GAS; GEOMETRY; ISOMERISM; MOLECULAR STABILITY; PHYSICAL PHASE; PROTON TRANSPORT;

EID: 0035898326 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00442-0 Document Type: Article

Times cited : (12)

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