Ab Initio Studies of Hydrogen-Bonded Complexes between Uracil and HCl
Journal of Molecular Structure: TheoChem
Ab initio SCF calculations were performed to investigate the hydrogen-bonding characteristics of the two carbonyl groups of the uracil molecule. The calculated interaction energy of the uracil-HCl complexes shows a strong basis-set dependence and provides no evidence for a significant difference between the two carbonyl groups in terms of intrinsic properties.
Ab Initio Studies of Hydrogen-Bonded Complexes between Uracil and HCl Z. Latajka, H. Ratajczak, Th. Zeegers-Huyskens, S. Scheiner J. Mol. Struct., Theochem 1991 235, 409-415.
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