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Hydrogen bonding effects in quantum mechanical fore fields of pyrimidine bases: uracil

✍ Scribed by A. Aamouche; G. Berthier; B. Cadioli; E. Gallinella; M. Ghomi


Book ID
114142786
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
449 KB
Volume
426
Category
Article
ISSN
0166-1280

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Secondary hydrogen-bonding effects on th
✍ J.F. Hinton; D.L. Bennett πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 235 KB

The chemical shift anisotropy and the isotropic magnetic shielding constant of the hydrogen nuclei in the (H,O),. (H20)3, (H,O), and H,O systems have been calculated using ab initio quantum-mechanical techniques. The results show that secondary hydrogen bonding has a significant effect on these two