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• W2012103842 abstract "The electronic stability of planar, cyclic, hydrogen-bonded hexamers of water, featuring the oxygen-oxygen distance of 2.3 Å suggested for water-II (also called polywater), was evaluated by a semiempirical LCAO molecular orbital method. Two hexamer configurations were examined: (1) a symmetric system with its monomers having 0-H bond lengths equal to 1.15 Å, and (2) an asymmetric system with its monomers having two different 0-H bond lengths, one equal to 1.15 Å and the other 0.96 Å. A Mulliken electronic population analysis was performed on both hexamers. The symmetric and asymmetric structures were found unstable relative to six isolated monomers of ordinary water using the orbital energy sum as a criterion for stability. Our theoretical study reveals that the symmetric and asymmetric hexamers are not of major importance in the formation and stabilization of water-II, if indeed water-II does exist." @default.
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• W2012103842 date "1971-08-01" @default.
• W2012103842 modified "2023-10-17" @default.
• W2012103842 title "The structure of water—II" @default.
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• W2012103842 doi "https://doi.org/10.1016/0021-9797(71)90390-0" @default.
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