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Ab initio study for the effect of hydrogen bonds in the intermolecular interaction between high-spin molecules

✍ Scribed by J. Zhang; L. Wang; H. Zhang; R. Wang


Book ID
117539789
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
305 KB
Volume
137
Category
Article
ISSN
0379-6779

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The additivity of the effect of hydrogen bonding has been studied by ab initio calculations for two 1:2 formamide-water complexes, one where the formamide molecule is both a donor and acceptor (DON) and one where the two water molecules are bonded to the carbonyl oxygen (Doe). By comparison with the