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Symmetric intramolecular proton transfers between oxygen atoms in anionic systems. An ab initio study

✍ Scribed by Bosch, Enric; Lluch, Jose M.; Bertran, Juan


Book ID
127056136
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
845 KB
Volume
112
Category
Article
ISSN
0002-7863

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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