The adenine and thymine molecules. Some excited singlet and triplet levels of the normal and tautomeric forms.
The shape of the barrier for the H transfer between the normal and tautomeric forms have been determined for the adenine and thymine molecules. The correlations for several singlet and triplet states has been calculated using the CNDO/2-CI method. The relative stability between both conformations and the agreement with some experimental values is also discussed.
D000225:Adenine; D004355:Drug Stability; D004735:Energy Transfer; D008968:Molecular Conformation; D013237:Stereoisomerism; D013941:Thymine
D000225:Adenine; D013941:Thymine