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Secondary hydrogen-bonding effects on the nuclear magnetic shielding of the hydrogen nuclei in ice: An ab initio quantum-mechanical study

✍ Scribed by J.F. Hinton; D.L. Bennett

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
235 KB
Volume
116
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 parameters.

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