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Journal of Structural Chemistry

2008 year, number 4

ANTYSYMMETRY AND STABILITY OF AQUEOUS SYSTEMS. IV. SMALL CLUSTERS OF ARBITRARY FORM

M. V. Kirov
Keywords: water, cluster, antisymmetry, supramolecular asymmetry, ab initio calculations
Pages: 684-687

Abstract

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 Н-bonds. It was found that most configurations of small clusters were antisymmetric. Other configurations form pairs of antipode configurations with very close energies.