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- W2950394954 abstract "Abstract Solvation of both tautomeric forms of 2-oxopyrimidine by carbon tetrachloride has been investigated using the Monte Carlo method for a cluster consisting of 50 molecules at T =300 K. The results indicate that, in oposition to hydration, this solvation shifts the tautomeric equilibrium a little towards the lactim form, in agreement with experiment. The structure of the solvation shell in both tautomers closely resembles that of the pure solvent. Local minima of the interaction energy between n = 1, 2, 3, 4, 6 and 8 CCl 4 molecules and 2-oxopyrimidine have been examined. The results shed some light on the nature of the poor solubility of purines and pyrimidines in carbon tetrachloride." @default.
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- W2950394954 date "1986-02-18" @default.
- W2950394954 modified "2023-09-26" @default.
- W2950394954 title "ChemInform Abstract: Solvation of the Tautomeric Forms of 2-Oxopyrimidine in Carbon Tetrachloride Solution: A Monte Carlo Simulation." @default.
- W2950394954 cites W2075073719 @default.
- W2950394954 doi "https://doi.org/10.1002/chin.198607093" @default.
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