Quantum Molecular Dynamics : Energy Transfer and Reactivity
Language: English
Published by John Wiley & Sons Inc Nov 2025, 2025
- Hardcover
- New
Seller: AHA-BUCH GmbH, Einbeck, GermanyAHA-BUCH GmbH
AbeBooks seller since August 14, 2006
Condition: New
£ 223.25
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Add to basketItem description from seller
Neuware - Molecular Collisions and Gaseous Kinetics covers elastic collisions, inelastic collisions leading to energy transfer and electronic transitions, reactive collisions, and photoinduced dynamics. Collisions with surfaces, thermal rates of those phenomena, as well as transport and relaxation phenomena mediated by molecular collisions are also discussed. A final chapter on many atom scattering theory serves as an introduction to more advanced descriptions. The treatment is based on the quantal theory of scattering and its semiclassical limits, introduces realistic intermolecular forces, and includes computational aspects needed to calculate cross sections and compare them with experimental data. It is motivated by a need to cover these subjects starting from the electronic structure and atomic conformation of molecules. The chapters provide an introduction to experimental methods where appropriate, and connect theory to applications for specific physical systems to obtain results that can be compared to experimental data.…
Seller Inventory # 9780470383735
- Title
- Quantum Molecular Dynamics : Energy Transfer and Reactivity
- Author
- David A. Micha
- Publisher
- John Wiley & Sons Inc Nov 2025
- Publication year
- 2025
- Condition
- Neu
- Binding
- Buch
- Language
- English
- ISBN 10
- 0470383739
- ISBN 13
- 9780470383735
- Item weight
- 596 grams
- Dimensions
- 239x158x26 mm
Presents theoretical, computational, and practical aspects of collision-induced phenomena with emphasis on the treatment of physical and chemical kinetics using quantum molecular dynamics
Quantum Molecular Dynamics provides a state-of-the-art overview of molecular collisions for energy-transfer and reactivity phenomena in gases. Grounded in the quantal theory of scattering and its semiclassical limits, this comprehensive volume covers key concepts and theory, computational approaches, and various applications for specific physical systems.
Detailed chapters describe elastic, inelastic and reactive collisions, that lead to energy transfer, electronic transitions, chemical reactions, and more. Starting from the electronic structure and atomic conformation of molecules, the text proceeds from introductory material to advanced modern treatments relevant to applications to new materials, the environment, biological phenomena, and energy and fuels production.
- Provides a thorough introduction to collision dynamics with realistic intermolecular forces
- Covers thermal rates and cross sections of molecular collisions phenomena
- Examines electronic excitation and relaxation phenomena mediated by molecular collisions
- Discusses many-atom scattering theory as an introduction to more advanced descriptions
- Presents the computational aspects required to calculate and compare cross-sections with experimental data
- Includes worked examples and applications to different physical systems
Quantum Molecular Dynamics is an important resource for researchers and advanced undergraduate and graduate students in physical, theoretical, and computational chemistry, chemical physics, materials science, as well as chemists, engineers, and biologists working in the energy and pharmaceutical industries and the environment.
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About the Author
David A. Micha is a Professor of Chemistry and Physics at the University of Florida. His many research interests include intermolecular forces, collisional energy transfer, electron transfer, photoinduced dynamics, reactions in gas phase collisions, energy and electron transfer, and photodynamics at solid surfaces. Dr. Micha has also been co-organizer of the international “Sanibel Symposium on Theory and Computation for the Molecular and Materials Sciences” in the USA since 1985. He is a co-editor of several science books, and author of numerous science publications. He has been the organizer of several Pan-American Workshops on Molecular and Materials Sciences.
"About the title" may belong to another edition of this title.
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