Antisymmetry and stability of aqueous systems. IV. Small clusters of arbitrary form
The antisymmetry of small water clusters of various configurations with three to five molecules, which are stable according to the ab initio calculated data, was analyzed. The antisymmetry operation was alteration of the direction of all hydrogen bonds including the direction of the external unreali...
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Veröffentlicht in: | Journal of structural chemistry 2008-07, Vol.49 (4), p.656-659 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | The antisymmetry of small water clusters of various configurations with three to five molecules, which are stable according to the
ab initio
calculated data, was analyzed. The antisymmetry operation was alteration of the direction of all hydrogen bonds including the direction of the external unrealized H-bonds. It was found that most configurations of small clusters were antisymmetric. Other configurations form pairs of antipode configurations with very close energies. |
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ISSN: | 0022-4766 1573-8779 |
DOI: | 10.1007/s10947-008-0091-7 |