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Ab initio studies of structural features not easily amenable to experiment: Part 60. Comparison of the molecular structures of some axial and equatorial monosubstituted cyclohexanes

✍ Scribed by Khamis Siam; J.D. Ewbank; Lothar Schäfer; Chris Van Alsenoy


Book ID
119116932
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
575 KB
Volume
164
Category
Article
ISSN
0166-1280

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Ab initio studies of structural features
✍ 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