| Description |
xiii 318 pages : illustrations ; 26 cm |
| Series |
Wiley tutorial series in theoretical chemistry |
|
Wiley research series in theoretical chemistry |
|
Wiley tutorial series in theoretical chemistry.
|
|
Wiley research series in theoretical chemistry.
|
| Contents |
1. The Hydrogen Bond: An Electrostatic Interaction? / A. D. Buckingham -- 2. Ab Initio Methods Applied to Hydrogen-bonded Systems / J. G. C. M. van Duijneveldt-van de Rijdt and F. B. van Duijneveldt -- 3. Density Functional Theory and its Application to Hydrogen-bonded Systems / H. Guo, S. Sirois and E. I. Proynov [et al.] -- 4. Ab initio GIAO Magnetic Shielding Tensor for Hydrogen-bonded Systems / J. F. Hinton and K. Wolinski -- 5. Hydrogen Bonding by Semiempirical Molecular Orbital Methods / D. Hadzi and J. Koller -- 6. Simulating Proton Transfer Processes: Quantum Dynamics Embedded in a Classical Environment / H. J. C. Berendsen and J. Mavri -- 7. Theory of Solvent Effects and the Description of Chemical Reactions. Proton and Hydride Transfer Processes / O. Tapia, J. Andres and V. Moliner [et al.] -- 8. Infrared Spectra of Hydrogen Bonds: Basic Theories. Indirect and Direct Relaxation Mechanisms in Weak Hydrogen-bonded Systems / O. Henri-Rousseau and P. Blaise |
|
9. Infrared Pump-probe Spectroscopy of Water on Pico- and Subpicosecond Time Scales / S. Bratos and A. Laubereau -- 10. Hydrogen Bonding and Nuclear Magnetic Relaxation in Liquids / H. G. Hertz -- 11. Collective Behavior of Hydrogen Bonds in Ferroelectrics and Proton Glasses / R. Blinc and R. Pirc -- 12. Computational Experiments on Hydrogen-bonded Systems: From Gas Phase to Solutions / E. Clementi and G. Corongiu -- Epilogue: On Hydrogen-bond Computations in Very Large Chemical Systems / E. Clementi |
| Bibliography |
Includes bibliographical references and index |
| Subject |
Hydrogen bonding.
|
| Author |
Hadži, D. (Dušan)
|
| LC no. |
97011247 |
| ISBN |
0471973955 alkaline paper |
|
