Theoretical Treatments of Hydrogen Bonding

Theoretical Treatments of Hydrogen Bonding

Hadzi, Dusan

John Wiley & Sons Inc

10/1997

332

Dura

Inglês

9780471973959

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The 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.
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