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Ab initio studies of structural features not easily amenable to experiment: Part 58. Comparison of the molecular structures of some di-tertiarybutyl compounds of type [(CH3)3C]2X

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


Book ID
119116833
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
527 KB
Volume
153
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