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Hydrogen-bond energy nonadditivity in water

✍ Scribed by D. Hankins; J.W. Moskowitz; F.H. Stillinger


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
336 KB
Volume
4
Category
Article
ISSN
0009-2614

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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