Advanced Molecular Dynamics and Chemical Kinetics by Kurt V. Mikkelsen (English)

Description: Advanced Molecular Dynamics and Chemical Kinetics by Kurt V. Mikkelsen, Gert Due Billing This textbook combines all the theories of chemical kinetics and molecular reaction dynamics into a single location. FORMAT Hardcover LANGUAGE English CONDITION Brand New Publisher Description A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions both as a professional reference and a high-level text for PhD and postdoctoral researchers. Advanced Molecular Dynamics and Chemical Kinetics offers exceptional, in-depth coverage and includes a complete discussion of the theoretical as well as mathematical presentation of techniques. It features relevant exercises as well as comprehensive coverage of: * Second Quantization * Semiclassical Theory * Quantum Theory of Reaction Rates * Feynman Path Integrals * Wavepacket Propagation and Grid Methods * Photodissociation * Molecular Properties of Solvated Molecules * Quantum Model for Electron Transfer * Electron Transfer Coupling Elements * Proton Transfer Reactions in Solution This is the ideal reference for seasoned professionals in molecular reaction dynamics as well as for younger researchers who may want to enter the field or simply wish to learn more about it. Also available: Introduction to Molecular Dynamics and Chemical Kinetics Gert D. Billing and Kurt V. Mikkelsen Back Cover A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions both as a professional reference and a high-level text for PhD and postdoctoral researchers. Advanced Molecular Dynamics and Chemical Kinetics offers exceptional, in-depth coverage and includes a complete discussion of the theoretical as well as mathematical presentation of techniques. It features relevant exercises as well as comprehensive coverage of: Second Quantization Semiclassical Theory Quantum Theory of Reaction Rates Feynman Path Integrals Wavepacket Propagation and Grid Methods Photodissociation Molecular Properties of Solvated Molecules Quantum Model for Electron Transfer Electron Transfer Coupling Elements Proton Transfer Reactions in Solution This is the ideal reference for seasoned professionals in molecular reaction dynamics as well as for younger researchers who may want to enter the field or simply wish to learn more about it. Also available: Introduction to Molecular Dynamics and Chemical Kinetics Gert D. Billing and Kurt V. Mikkelsen Flap A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions both as a professional reference and a high-level text for PhD and postdoctoral researchers. Advanced Molecular Dynamics and Chemical Kinetics offers exceptional, in-depth coverage and includes a complete discussion of the theoretical as well as mathematical presentation of techniques. It features relevant exercises as well as comprehensive coverage of: * Second Quantization * Semiclassical Theory * Quantum Theory of Reaction Rates * Feynman Path Integrals * Wavepacket Propagation and Grid Methods * Photodissociation * Molecular Properties of Solvated Molecules * Quantum Model for Electron Transfer * Electron Transfer Coupling Elements * Proton Transfer Reactions in Solution This is the ideal reference for seasoned professionals in molecular reaction dynamics as well as for younger researchers who may want to enter the field or simply wish to learn more about it. Also available: Introduction to Molecular Dynamics and Chemical Kinetics Gert D. Billing and Kurt V. Mikkelsen Author Biography GERT D. BILLING is Professor of Theoretical Chemistry at the University of Copenhagen. He serves as referee and sits on the editorial boards of numerous professional journals and has been a visiting professor at many universities and research institutions worldwide. Professor Billing is the author or coauthor of over 250 published papers and 150 conference presentations as well as Wileys Introduction to Molecular Dynamics and Chemical Kinetics. KURT V. MIKKELSEN is Associate Professor in the Department of Chemistry, University of Copenhagen, Denmark. He has been an invited lecturer at dozens of universities and conferences in Europe and the United States and has published 80 papers in international journals as well as coauthoring Introduction to Molecular Dynamics and Chemical Kinetics. Table of Contents Introduction to Molecular Dynamics and Chemical Kinetics Interaction Potentials. Relative Motion. Collisional Approach. Partition Functions. Transition State Theory. Generalized Transition State Theory. Theory for Unimolecular Reactions. Classical Dynamics. Nonadiabatic Transitions. Surface Kinetics. Chemical Reactions in Solution. Energetic Aspects of Solvent Effects on Solutes. Models for Chemical Reactions in Solution. Kramers Theory. The Classical Model of Electron Transfer Reactions in Solution. Appendices. Index. Advanced Molecular Dynamics and Chemical Kinetics Second Quantization. Effective Hamiltonian Approaches. Semiclassical Theories. Wavepacket Propagation. Potential Energy Surfaces. The Reaction Path Method. Variational Transition State Theory. Quantum Theory for Rate Constants. Statistical and Phase Space Methods. Photodissociation. Density Operators. Evolution of a Total System. Nonequilibrium Solvation. Molecular Properties of Solvated Molecules. Magnetic Properties of Solvated Molecules. Quantum Model for Electron Transfer. Electron Transfer Coupling Elements. Electron Transfer Reactions Coupled to a Quantum Mechanical Radiation Field. Proton Transfer Reactions in Solution. Appendices. Bibliography. Index. Long Description A comprehensive, in-depth presentation of theoretical underpinnings and mathematical techniques This is the first book of its kind to combine all the theories of molecular reaction dynamics and chemical kinetics in a single source. It provides a sophisticated treatment of the material that functions both as a professional reference and a high-level text for PhD and postdoctoral researchers. Advanced Molecular Dynamics and Chemical Kinetics offers exceptional, in-depth coverage and includes a complete discussion of the theoretical as well as mathematical presentation of techniques. It features relevant exercises as well as comprehensive coverage of: ∗ Second Quantization ∗ Semiclassical Theory ∗ Quantum Theory of Reaction Rates ∗ Feynman Path Integrals ∗ Wavepacket Propagation and Grid Methods ∗ Photodissociation ∗ Molecular Properties of Solvated Molecules ∗ Quantum Model for Electron Transfer ∗ Electron Transfer Coupling Elements ∗ Proton Transfer Reactions in Solution This is the ideal reference for seasoned professionals in molecular reaction dynamics as well as for younger researchers who may want to enter the field or simply wish to learn more about it. Also available: Introduction to Molecular Dynamics and Chemical Kinetics Gert D. Billing and Kurt V. Mikkelsen Feature Discussions of underlyng theory. Detailed mathematical derivations. Details ISBN047112740X Author Gert Due Billing Pages 288 Language English ISBN-10 047112740X ISBN-13 9780471127406 Media Book Format Hardcover Illustrations Yes Year 1997 Place of Publication New York Country of Publication United States Edition 1st Short Title ADVD MOLECULAR DYNAMICS & CHEM DOI 10.1604/9780471127406 UK Release Date 1997-04-18 AU Release Date 1997-03-28 NZ Release Date 1997-03-28 Publisher John Wiley & Sons Inc Publication Date 1997-04-18 Imprint Wiley-Interscience DEWEY 541.394 Audience Undergraduate US Release Date 1997-04-18 We've got this At The Nile, if you're looking for it, we've got it. With fast shipping, low prices, friendly service and well over a million items - you're bound to find what you want, at a price you'll love! TheNile_Item_ID:126565317;

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