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Advances in Molecular Vibrations and Collision Dynamics
1st Edition - June 1, 1998
Editors: Joel M. Bowman, Zlatco Bacic
eBook ISBN:
9 7 8 - 0 - 0 8 - 0 5 6 0 7 9 - 3
This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental… Read more
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This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.
List of contributors.
Preface
(Z. Bačić, J.M. Bowman).
Molecular clusters: real-time dynamics and reactivity
(J.A. Syage, A.H. Zewail).
Energetics and dynamics of argon-water photodissociation
(K.M. Christoffel, J.M. Bowman).
Interactions between CN radicals and rare gas atoms: collisions, clusters, and matrices
(M.C. Heaven et al.).
Vibrational spectroscopy of small size-selected clusters
(U. Buck).
Quantum Monte Carlo vibrational analysis and three-body effects in weakly bound clusters
(C.E. Dykstra).
Vibration-rotation-tunneling dynamics of (HF)2 and (HCL)2 from full-dimensional quantum bound-state calculations
(Z. Bačić, Y. Qiu).
Spectroscopy and quantum dynamics of hydrogen fluoride clusters
(M. Quack, M.A. Suhm).
The infrared spectroscopy of hydrogen-bonded clusters: chains, cycles, cubes, and three-dimensional networks
(T.S. Zwier).
Ab initio characterization of water and anion-water clusters
(S.S. Xantheas, T.H. Dunning, Jr.).
Diffusion Monte Carlo studies of water clusters
(J.K. Gregory, D.C. Clary).
Rearrangements and tunneling in water clusters
(D.J. Wales).
Spectroscopy and microscopic theory of doped helium clusters
(K.B. Whaley).
Index.
Preface
(Z. Bačić, J.M. Bowman).
Molecular clusters: real-time dynamics and reactivity
(J.A. Syage, A.H. Zewail).
Energetics and dynamics of argon-water photodissociation
(K.M. Christoffel, J.M. Bowman).
Interactions between CN radicals and rare gas atoms: collisions, clusters, and matrices
(M.C. Heaven et al.).
Vibrational spectroscopy of small size-selected clusters
(U. Buck).
Quantum Monte Carlo vibrational analysis and three-body effects in weakly bound clusters
(C.E. Dykstra).
Vibration-rotation-tunneling dynamics of (HF)2 and (HCL)2 from full-dimensional quantum bound-state calculations
(Z. Bačić, Y. Qiu).
Spectroscopy and quantum dynamics of hydrogen fluoride clusters
(M. Quack, M.A. Suhm).
The infrared spectroscopy of hydrogen-bonded clusters: chains, cycles, cubes, and three-dimensional networks
(T.S. Zwier).
Ab initio characterization of water and anion-water clusters
(S.S. Xantheas, T.H. Dunning, Jr.).
Diffusion Monte Carlo studies of water clusters
(J.K. Gregory, D.C. Clary).
Rearrangements and tunneling in water clusters
(D.J. Wales).
Spectroscopy and microscopic theory of doped helium clusters
(K.B. Whaley).
Index.
- No. of pages: 460
- Language: English
- Published: June 1, 1998
- Imprint: JAI Press
- eBook ISBN: 9780080560793
JB
Joel M. Bowman
Affiliations and expertise
Department of Chemistry, Emory UniversityZB
Zlatco Bacic
Affiliations and expertise
Department of Chemistry, New york University