Read more
Zusatztext This book should be required reading for biochemists as well as for anyone who designs or interprets empirical models that need to reproduce systems where H-bonding is important. A valuable contribution to our understanding of H-bonds. The Gillis should be commended for the considerable time and effort they must have spent on this endeavor. Informationen zum Autor Professor Gastone Gilli Full Professor of Physical Chemistry and Director of the Centre for Structural Diffractometry University of Ferrara, ItalyDr Paola Gilli Researcher of Physical Chemistry University of Ferrara, Italy Klappentext This book defines, for the first time, the rules for predicting H-bond energies and geometries from the properties of the interacting molecules. This new knowledge is used to investigate the molecular mechanisms in systems relevant to chemistry, biochemistry, pharmacology, crystallography, and material sciences. Zusammenfassung This book defines, for the first time, the rules for predicting H-bond energies and geometries from the properties of the interacting molecules. This new knowledge is used to investigate the molecular mechanisms in systems relevant to chemistry, biochemistry, pharmacology, crystallography, and material sciences. Inhaltsverzeichnis Introduction 1: A century of hydrogen bond (H-bond) 2: Generalities, definitions and preliminary classification 3: Modelling the H-bond by crystallographic methods 4: Modelling the H-bond by thermodynamic methods 5: The empirical laws governing the H-bond: A summary 6: Outline of a novel transition-state H-bond theory (TSHBT) 7: The strength of the H-bond: Definitions and thermodynamics 8: The role of strong H-bonds in nature: A gallery of functional H-bonds References
