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Hydrogen bonding and molecular association in methylated 3-hydroxypyridines

✍ Scribed by V. P. Lezina; V. F. Bystrov; L. D. Smirnov; K. M. Dyumaev


Book ID
112362026
Publisher
Springer
Year
1971
Tongue
English
Weight
422 KB
Volume
4
Category
Article
ISSN
0040-5760

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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