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Original scientific paper

The Hydrogen Bonding in Solids. Part I. The Hydrogen Bonding Model for the O-H ... O Systems in Crystals of Carboxylic Acids

Slawomir J. Grabowski ; Institute of Chemistry, University of Warsaw, Branch Bialystok, Aleja 1 Maja 11/4 15-443 Bialystok

Full text: english pdf 3.658 Kb

page 805-814

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New potential functions are presented for the the O-H··· O systems. Various correlations are shown for carboxylic acids in the crystal. The H-bond energy calculated from the new model corresponds to that obtained from the Lippincott and Schroeder model and to the difference between the unity and the sum of the Pauling bond number.


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