Hydrogen Bonding

A Theoretical Perspective

Gebonden Engels 1997 9780195090116

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This book digests and explains the vast literature in which the fundamental characteristics of hydrogen bonds have been probed by quantum chemical methods over the years. After an explanation as to how various properties are calculated, the author describes the results that have been obtained in a large number of different systems, focusing on the energetics, equilibrium geometries, and vibrational spectras. Extensive regions of the potential energy surface are examined, as is the underlying nature of the cooperativity associated with a chain hydrogen bonds. The question as to what precisely constitutes a hydrogen bond is explored by way of examples lying on the fringes of the normal definition.