Abstract
A matrix method for conformational optimization of quasi-one-dimensional molecular structures is suggested. The method is used to determine cyclic and polyhedral configurations of water clusters with the maximal number of stable trans-conformations of molecular pairs forming hydrogen bonds.
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References
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Additional information
Institute of Earth Cryosphere, Siberian Branch, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 1, pp. 107–115, January–February, 1996
Translated by L. Smolina
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Kirov, M.V. Matrix method of conformational optimization. Application to cyclic and polyhedral water clusters. J Struct Chem 37, 92–98 (1996). https://doi.org/10.1007/BF02578575
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DOI: https://doi.org/10.1007/BF02578575