Investigation of the double-well potential of the NH⋯N hydrogen bond of the guanine-cytosine base pair for different NN distances
✍ Scribed by D.K. Rai; J. Ladik
- Publisher
- Elsevier Science
- Year
- 1968
- Tongue
- English
- Weight
- 938 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0022-2852
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## Abstract Internucleotide ^2h^__J__~NN~ spin‐spin couplings and chemical shifts (δ(^1^H) and Δδ(^15^N)) of NH···N H‐bond units in the natural and radiation‐damaged G‐C base pairs were predicted using the appropriate density functional theory calculations with a large basis set. Four possible ser
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