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Tautomerism and Protonation of Guanine and Cytosine. Implications in the Formation of Hydrogen-Bonded Complexes

✍ Scribed by Colominas, Carles; Luque, Francisco J.; Orozco, Modesto


Book ID
125476276
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
327 KB
Volume
118
Category
Article
ISSN
0002-7863

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The potential energy (PE) functions of the lowest singlet and triplet states of the hydrogen-bonded complexes of cytosine with HNO and NOH were theoretically investigated along the proton transfer (PT) coordinate. A full geometry optimization was performed along the PT reaction path at the Hartree-F