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An ab Initio Post-Hartree−Fock Comparative Study of 5-Azacytosine and Cytosine and Their Dimers with Guanine

✍ Scribed by Podolyan, Yevgeniy; Rubin, Yury V.; Leszczynski, Jerzy


Book ID
119994509
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
173 KB
Volume
104
Category
Article
ISSN
1089-5639

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The results of an ab initio post-Hartree᎐Fock study of the molecular structures, relative stabilities, and mechanisms of intermolecular proton transfer in isolated and monohydrated cytosine complexes are reported. The geometries of the local minima and transition states were optimized without symmet