Description
Book SynopsisThe reader is presented in this book with the state of the art key theoretical approaches to the phenomena of hydrogen bonding, considering the hydrogen bond in a range of systems.
Table of ContentsThe Hydrogen Bond: An Electrostatic Interaction?
(A. Buckingham).
Ab Initio Methods Applied to Hydrogen-Bonded Systems (J. de Rejdt& F. van Duijneveldt).
Density Functional Theory and its Application to Hydrogen-BondedSystems (H. Guo, et al.).
Ab Initio GIAO Magnetic Shielding Tensor for Hydrogen-BondedSystems (J. Hinton & K. Wolinski).
Hydrogen Bonding by Semiempirical Molecular Orbital Methods (D.Hadzi & J. Koller).
Simulating Proton Transfer Processes: Quantum Dynamics Embedded ina Classical Environment (H. Berendsen & J. Mavri).
Theory of Solvent Effects and the Description of ChemicalReactions: Proton and Hydride Transfer Processes (O. Tapia, etal.).
Infrared Spectra of Hydrogen Bonds: Basic Theories, Indirect andDirect Relaxation Mechanisms in Weak Hydrogen-Bonded Systems (O.Henri-Rousseau & P. Blaise).
Infrared Pump-Probe Spectroscopy of Water on Pico- andSubpicosecond Time Scales (S. Bratos & A. Laubereau).
Hydrogen Bonding and Nuclear Magnetic Relaxation in Liquids (H.Hertz).
Collective Behavior of Hydrogen Bonds in Ferroelectrics and ProtonGlasses (R. Blinc & R. Pirc).
Computational Experiments on Hydrogen-Bonded Systems: From GasPhase to Solutions (E. Clementi & G. Corongiu).
Epilogue: On Hydrogen-Bond Computations in Very Large ChemicalSystems (E. Clementi).
Indexes.
List of Compounds and Hydrogen-Bonded Systems.
