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Ab initio studies of structural features not easily amenable to experiment: Part 14. Complete ab initio equilibrium structures of some conformations of dimethoxymethane

✍ Scribed by C. Van Alsenoy; Lothar Schäfer; J.N. Scarsdale; J.O. Williams; H.J. Geise

Book ID
119115602
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
347 KB
Volume
86
Category
Article
ISSN
0166-1280

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Ab initio studies of structural features
Ab initio studies of structural features not easily amenable to experiment: the molecular structures of some hydrogenfluoride clusters
✍ P.N. Swepston; S. Colby; H.L. Sellers; Lothar Schäfer 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 317 KB

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