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Volumn 535, Issue 1-3, 2001, Pages 121-129
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A theoretical study of tautomerism of 6-thiopurine in the gas and aqueous phases using AM1 and PM3
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Author keywords
6 Thiopurine; AM1, PM3 semiempirical calculation; Dipole moments; Ionisation potential; Tautomeric equilibrium constant; Tautomerism
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Indexed keywords
MERCAPTOPURINE;
AQUEOUS SOLUTION;
ARTICLE;
CALCULATION;
CHEMICAL STRUCTURE;
DIPOLE;
ENERGY;
ENTHALPY;
ENTROPY;
EQUILIBRIUM CONSTANT;
GAS;
GEOMETRY;
IONIZATION;
QUANTUM CHEMISTRY;
SOLVATION;
STEREOISOMERISM;
STRUCTURE ANALYSIS;
THEORY;
THERMODYNAMICS;
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EID: 0035862762
PISSN: 01661280
EISSN: None
Source Type: Journal
DOI: 10.1016/S0166-1280(00)00586-8 Document Type: Article |
Times cited : (37)
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References (25)
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