The adenine and thymine molecules. Some excited singlet and triplet levels of the normal and tautomeric forms.
Z Naturforsch C Biosci, 1977/7-1977/8;32(7-8):647-9.
PMID: 143825
Abstract
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.
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