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Hydrogen Bonding - New Insights, 2006 Challenges and Advances in Computational Chemistry and Physics Series, Vol. 3

Langue : Anglais

Coordonnateur : Grabowski Slawomir

Couverture de l’ouvrage Hydrogen Bonding - New Insights

Hydrogen Bonding ? New Insights is an extensive text which takes numerous examples from experimental studies and uses these to illustrate theoretical investigations to allow a greater understanding of hydrogen bonding phenomenon. The most important topics in recent studies are considered including:

Intra-molecular H-bonds

Differences between H-bond and van der Waals interactions from one side and covalent bonds from the other

Bader theory to analyze H-bonding

Influence of weak H-bonds upon structure and function of biological molecules

H-bonds in crystal structures

With contributions from some of the foremost experts in this field this volume provides an invaluable resource for all members of the academic community looking for a comprehensive text on hydrogen bonding. It will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.

Characterization of Hydrogen Bonding: From van der Waals Interactions to Covalency.- Intramolecular Hydrogen Bonds. Methodologies and Strategies for Their Strength Evaluation.- Changes of Electron Properties in the Formation of Hydrogen Bonds.- Weak to Strong Hydrogen Bonds.- The Nature of the C–H· · ·X Intermolecular Interactions in Molecular Crystals. A Theoretical Perspective.- Weak Hydrogen Bonds Involving Transition Elements.- Contribution of CH· · ·X Hydrogen Bonds to Biomolecular Structure.- Neutral Blue-Shifting and Blue-Shifted Hydrogen Bonds.- Hydrogen–Hydrogen Bonding: The Non-Electrostatic Limit of Closed-Shell Interaction Between Two Hydro.- Potential Energy Shape for the Proton Motion in Hydrogen Bonds Reflected in Infrared and NMR Spectra.- Molecular Geometry—Distant Consequences of H-Bonding.- Topology of X-Ray Charge Density of Hydrogen Bonds.- Structure–Property Relations for Hydrogen-Bonded Solids.- Unrevealing the Nature of Hydrogen Bonds: ?-Electron Delocalization Shapes H-Bond Features. Intramolecular and Intermolecular Resonance-Assisted Hydrogen Bonds.
Links theoretical studies with experimental results Covers the most important recent aspects in H-bonding Includes numerous examples to allow a greater understanding of H-bonding

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