J. Contreras, J. Alderete
Jun 1, 1995
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0
Influential Citations
10
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Journal
Journal of Physical Organic Chemistry
Abstract
Free energies of solvation were calculated for the four most stable gas-phase tautomeric forms of 2-thiocytosine (TC) using a local field SCF procedure with the solvation model SM2. The calculated changes in the free energies for each pair of tautomers reveal that all six possible equilibria tend to produce the thione-amino TC(1, 8, 8) and TC(3, 8, 8) species. This is in agreement with UV and ionization constant data.