Ab initio studies of structural features
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P.N. Swepston; S. Colby; H.L. Sellers; Lothar Schäfer
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Article
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1980
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Elsevier Science
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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