Advanced Molecular Dynamics And Chemical Kinetics
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Introduction To Molecular Dynamics And Chemical Kinetics Advanced Molecular Dynamics And Chemical Kinetics 2 Volume Set
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Author : Gert Due Billing
language : en
Publisher: Wiley-Interscience
Release Date : 1997-04-11
Introduction To Molecular Dynamics And Chemical Kinetics Advanced Molecular Dynamics And Chemical Kinetics 2 Volume Set written by Gert Due Billing and has been published by Wiley-Interscience this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-04-11 with Science categories.
A two-semester text for advanced undergraduate chemistry The Introduction to Molecular Dynamics and Chemical Kinetics + Advanced Molecular Dynamics and Chemical Kinetics: 2 Volume Set provides complete guidance throughout a two-semester course. Beginning with molecular reaction dynamics and chemical kinetics, each book breaks complex theory into easily-comprehended concepts. Solved exercises provide clear examples for calculations, bonding, predictions, and other physical phenomenon, while challenging problem sets allow students to gauge their levels of understanding and revisit difficult topics along the way.
Advanced Molecular Dynamics And Chemical Kinetics
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Author : Gert Due Billing
language : en
Publisher: Wiley-Interscience
Release Date : 1997-04-11
Advanced Molecular Dynamics And Chemical Kinetics written by Gert Due Billing and has been published by Wiley-Interscience this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-04-11 with Science categories.
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
Chemical Kinetics And Reaction Dynamics
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Author : Santosh K. Upadhyay
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-04-29
Chemical Kinetics And Reaction Dynamics written by Santosh K. Upadhyay and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-04-29 with Science categories.
Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
Molecular Reaction Dynamics
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Author : Raphael D. Levine
language : en
Publisher: Cambridge University Press
Release Date : 2009-06-04
Molecular Reaction Dynamics written by Raphael D. Levine and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-06-04 with Technology & Engineering categories.
Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.
Chemical Kinetics And Reaction Dynamics
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Author : Paul L. Houston
language : en
Publisher: Courier Corporation
Release Date : 2012-10-10
Chemical Kinetics And Reaction Dynamics written by Paul L. Houston and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-10-10 with Science categories.
DIVThis text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. Solutions to selected problems. 2001 edition. /div
Molecular Dynamics
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Author : Perla Balbuena
language : en
Publisher: Elsevier
Release Date : 1999-04-22
Molecular Dynamics written by Perla Balbuena and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-04-22 with Science categories.
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Introduction To Computational Chemistry
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Author : Frank Jensen
language : en
Publisher: John Wiley & Sons
Release Date : 2016-12-14
Introduction To Computational Chemistry written by Frank Jensen and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-12-14 with Science categories.
Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
Chemical Kinetics And Dynamics
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Author : Jeffrey I. Steinfeld
language : en
Publisher: Pearson
Release Date : 1999
Chemical Kinetics And Dynamics written by Jeffrey I. Steinfeld and has been published by Pearson this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999 with Science categories.
This text presents a balanced presentation of the macroscopic view of empirical kinetics and the microscopic molecular viewpoint of chemical dynamics. This second edition includes the latest information, as well as new topics such as heterogeneous reactions in atmospheric chemistry, reactant product imaging, and molecular dynamics of H + H2.
Advances In Quantum Chemistry
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Author :
language : en
Publisher: Elsevier
Release Date : 2005-12-20
Advances In Quantum Chemistry written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-12-20 with Science categories.
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy.