Abstract
Cyclic and chainlike structures of hydrogen bonds have been observed experimentally in crystal structures of molecules of biological interest which contain hydroxy1-groups and cocrystal1ize with water (Betzel et al. 1984; Zabel et al. 1986; Vernon et al. 1982). Beyond the additive energy of these arrangements there is a stabilization caused by cooperative effects (Clementi et al. 1980). The additional energy gained in these associates is explained by the polarizabi1ity of the 0-H groups which are able to function as donors and acceptors in homo-, anti- or hetero-oriented extended hydrogen bonding patterns. Cyclic structures are preferred over chainlike ones because they contain the maximum number of bonds (Saenger 1979; Del Bene et al. 1970). The analysis and the definition of a measure for the amount of hydrogen bond cooperativity is the subject of this investigation.
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References
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© 1987 Springer-Verlag Berlin Heidelberg
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Koehler, J.E.H., Saenger, W. (1987). Ab Initio Calculations and Many Body Analysis of the Water Tetramer. In: Kleeberg, H. (eds) Interactions of Water in Ionic and Nonionic Hydrates. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-72701-6_25
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DOI: https://doi.org/10.1007/978-3-642-72701-6_25
Publisher Name: Springer, Berlin, Heidelberg
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