Ab initio studies of structural features not easily amenable to experiment: Part 41. Molecular geometries of hydrogen-bonded six-membered ring structures of glycerol
✍ Scribed by C. Van Alsenoy; V.J. Klimkowski; J.D. Ewbank; Lothar Schäfer
- Book ID
- 119116407
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 739 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0166-1280
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The completely relaxed ab imtro structures of some forms of H2F2 and H3F3 reilect the cooperaWe nature of hydrogen bondmg and can be used to estimate the order of magmtude of the variations in local geometry which are neglected when mterachve potent&s for HF m clusters or m the hqurd state are evalu