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Approximate calculation of the tunnelling frequencies of the proton in the NH…O hydrogen bond of the nucleotide base pairs

✍ Scribed by G. Biczo; J. Ladik; J. Gergely

Publisher
Elsevier Science
Year
1964
Weight
129 KB
Volume
13
Category
Article
ISSN
0031-9163

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📜 SIMILAR VOLUMES

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The energy levels and wavefunctions of the protons of the hydrogen bonds in DNA base pairs are numerically wlculated for a s&es of adiabatic potential awes. The phenomenon of the swxlled proton tunnelling is discussed.

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The accessible minima in the electrostatic interaction energy of 29 bimolecular complexes containing N-H...O=C hydrogen bonds have been calculated, using ab initio distributed multipoles. The hydrogen bond geometries corresponding to these minima show the same statistical trends as found in crystal