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Semi-empirical groundwork of the bond-valence model

✍ Scribed by Urusov, V. S.

Book ID
114515134
Publisher
International Union of Crystallography
Year
1995
Tongue
English
Weight
1004 KB
Volume
51
Category
Article
ISSN
0108-7681

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## Abstract An approximate __ab‐initio__ valence bond calculation of hydrogen bond energy was carried out and the results are discussed. The total bond energy of a simplified Nο£ΏH…O structure is calculated for various Nο£ΏH and N…O distances and the potential energy profiles are obtained. The hydrogen