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Journal of Molecular Structure: THEOCHEM

Volumn 532, Issue 1-3, 2000, Pages 157-169

A theoretical study of tautomerism of cytosine, thymine, uracil and their 1-methyl analogues in the gas and aqueous phases using AM1 and PM3

(1) Civcir, P U a

a ANKARA UNIVERSITY (Turkey)

Author keywords

AM1; Dipole moment; Ionisation potential; PM3 semiempirical calculation; Pyrimidine bases; Tautomeric equilibrium constant; Tautomerism

Indexed keywords

CYTOSINE; PYRIMIDINE; THYMINE; URACIL;

ARTICLE; CHEMICAL STRUCTURE; DIPOLE; ENTHALPY; ENTROPY; EQUILIBRIUM CONSTANT; GAS; GEOMETRY; IONIZATION; LIQUID; PHYSICAL PHASE; QUANTUM CHEMISTRY; SOLVATION; THERMODYNAMICS;

EID: 0034680955 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00556-X Document Type: Article

Times cited : (71)

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