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Molecular deformation caused by hydrogen-bonding and resonance

✍ Scribed by Kunio Fukushima; Takeshi Kawai

Book ID: 103210588
Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 396 KB
Volume: 112
Category: Article
ISSN: 0022-2860
DOI: 10.1016/0022-2860(84)80242-2

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## Abstract __Ab initio__ calculations on the Hartree–Fock level are used to study the effects of cooperativity in ternary complexes and in infinite chains on the example of hydrogen fluoride. SCF energy partitioning demonstrates that polarization forces dominate three‐body energies in these aggreg