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Double-Proton Transfer in Adenine−Thymine and Guanine−Cytosine Base Pairs. A Post-Hartree−Fock ab Initio Study

✍ Scribed by Gorb, Leonid; Podolyan, Yevgeniy; Dziekonski, Pawel; Sokalski, W. Andrzej; Leszczynski, Jerzy

Book ID
115503439
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
382 KB
Volume
126
Category
Article
ISSN
0002-7863

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Intramolecular proton transfer in monohy
Intramolecular proton transfer in monohydrated tautomers of cytosine: An ab initio post-Hartree–Fock study
✍ Leonid Gorb; Jerzy Leszczynski 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 285 KB 👁 2 views

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