Molecular Dynamics And Chemical Kinetics PDF Download
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Author | : Niels E. Henriksen |
Publisher | : Oxford University Press, USA |
Total Pages | : 391 |
Release | : 2008 |
Genre | : Science |
ISBN | : 0199203865 |
Download Theories of Molecular Reaction Dynamics Book in PDF, ePub and Kindle
This book deals with a central topic at the interface of chemistry and physics - the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a detailed presentation of transition-state theory which plays an important role in practice, and a comprehensive discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems.
Author | : Santosh K. Upadhyay |
Publisher | : Springer Science & Business Media |
Total Pages | : 256 |
Release | : 2007-04-29 |
Genre | : Science |
ISBN | : 1402045476 |
Download Chemical Kinetics and Reaction Dynamics Book in PDF, ePub and Kindle
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.
Author | : Gert Due Billing |
Publisher | : Wiley-Interscience |
Total Pages | : 316 |
Release | : 1997-04-11 |
Genre | : Science |
ISBN | : |
Download Advanced Molecular Dynamics and Chemical Kinetics Book in PDF, ePub and Kindle
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 | : Raphael D. Levine |
Publisher | : Cambridge University Press |
Total Pages | : 574 |
Release | : 2009-06-04 |
Genre | : Technology & Engineering |
ISBN | : 9781139442879 |
Download Molecular Reaction Dynamics Book in PDF, ePub and Kindle
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.
Author | : Paul L. Houston |
Publisher | : Courier Corporation |
Total Pages | : 354 |
Release | : 2012-10-10 |
Genre | : Science |
ISBN | : 0486131696 |
Download Chemical Kinetics and Reaction Dynamics Book in PDF, ePub and Kindle
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
Author | : Luis Arnaut |
Publisher | : Elsevier |
Total Pages | : 563 |
Release | : 2006-12-21 |
Genre | : Science |
ISBN | : 0080469345 |
Download Chemical Kinetics Book in PDF, ePub and Kindle
Chemical Kinetics bridges the gap between beginner and specialist with a path that leads the reader from the phenomenological approach to the rates of chemical reactions to the state-of-the-art calculation of the rate constants of the most prevalent reactions: atom transfers, catalysis, proton transfers, substitution reactions, energy transfers and electron transfers. For the beginner provides the basics: the simplest concepts, the fundamental experiments, and the underlying theories. For the specialist shows where sophisticated experimental and theoretical methods combine to offer a panorama of time-dependent molecular phenomena connected by a new rational. Chemical Kinetics goes far beyond the qualitative description: with the guidance of theory, the path becomes a reaction path that can actually be inspected and calculated. But Chemical Kinetics is more about structure and reactivity than numbers and calculations. A great emphasis in the clarity of the concepts is achieved by illustrating all the theories and mechanisms with recent examples, some of them described with sufficient detail and simplicity to be used in general chemistry and lab courses. * Looking at atoms and molecules, and how molecular structures change with time. * Providing practical examples and detailed theoretical calculations* Of special interest to Industrial Chemistry and Biochemistry
Author | : Ron Elber |
Publisher | : John Wiley & Sons |
Total Pages | : 268 |
Release | : 2019-12-06 |
Genre | : Science |
ISBN | : 1119176794 |
Download Molecular Kinetics in Condensed Phases Book in PDF, ePub and Kindle
A guide to the theoretical and computational toolkits for the modern study of molecular kinetics in condensed phases Molecular Kinetics in Condensed Phases: Theory, Simulation and Analysis puts the focus on the theory, algorithms, simulations methods and analysis of molecular kinetics in condensed phases. The authors – noted experts on the topic – offer a detailed and thorough description of modern theories and simulation methods to model molecular events. They highlight the rigorous stochastic modelling of molecular processes and the use of mathematical models to reproduce experimental observations, such as rate coefficients, mean first passage times and transition path times. The book’s exploration of simulations examines atomically detailed modelling of molecules in action and the connections of these simulations to theory and experiment. The authors also explore the applications that range from simple intuitive examples of one- and two-dimensional systems to complex solvated macromolecules. This important book: Offers an introduction to the topic that combines theory, simulation and analysis Presents a guide written by authors that are well-known and highly regarded leaders in their fields Contains detailed examples and explanation of how to conduct computer simulations of kinetics. A detailed study of a two-dimensional system and of a solvated peptide are discussed. Discusses modern developments in the field and explains their connection to the more traditional concepts in chemical dynamics Written for students and academic researchers in the fields of chemical kinetics, chemistry, computational statistical mechanics, biophysics and computational biology, Molecular Kinetics in Condensed Phases is the authoritative guide to the theoretical and computational toolkits for the study of molecular kinetics in condensed phases.
Author | : Gert Due Billing |
Publisher | : Wiley-Interscience |
Total Pages | : 0 |
Release | : 1996-02-02 |
Genre | : Science |
ISBN | : 9780471127390 |
Download Introduction to Molecular Dynamics and Chemical Kinetics Book in PDF, ePub and Kindle
The first text to cover both molecular reaction dynamics and chemical kinetics and their respective theories in a single source. After introductory material, the monograph goes on to cover interaction potentials; relative motion and the collisional approach for chemical reaction in the gas phase; partition functions; transition state theory; unimolecualr reactions; molecular reactions calculations; non-adiabatic transitions; surface kinetics; chemical reactions in solution; energetic changes in solvating a molecule; transition state theory in solution; models for diffusion; Kramers' theory of viscosity of solvent in chemical reactions; and electronic transfer reactions in solution. Also includes problems and solved exercises.
Author | : Gert Due Billing |
Publisher | : Wiley-Interscience |
Total Pages | : 0 |
Release | : 1997-04-11 |
Genre | : Science |
ISBN | : 9780471182030 |
Download Introduction to Molecular Dynamics and Chemical Kinetics & Advanced Molecular Dynamics and Chemical Kinetics, 2 Volume Set Book in PDF, ePub and Kindle
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.
Author | : Jeffrey I. Steinfeld |
Publisher | : Pearson |
Total Pages | : 536 |
Release | : 1999 |
Genre | : Science |
ISBN | : |
Download Chemical Kinetics and Dynamics Book in PDF, ePub and Kindle
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.