Advanced Molecular Dynamics And Chemical Kinetics

Advanced Molecular Dynamics And Chemical Kinetics Book in PDF, ePub and Kindle version is available to download in english. Read online anytime anywhere directly from your device. Click on the download button below to get a free pdf file of Advanced Molecular Dynamics And Chemical Kinetics book. This book definitely worth reading, it is an incredibly well-written.

Advanced Molecular Dynamics and Chemical Kinetics

Gert Due Billing,Kurt V. Mikkelsen
Advanced Molecular Dynamics and Chemical Kinetics Book PDF

Author : Gert Due Billing,Kurt V. Mikkelsen
Publisher : Wiley-Interscience
Page : 316 pages
File Size : 46,6 Mb
Release : 1997-04-11
Category : Science
ISBN : UOM:39015040689955

Get Book

Advanced Molecular Dynamics and Chemical Kinetics by Gert Due Billing,Kurt V. Mikkelsen Pdf

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

Introduction to Molecular Dynamics and Chemical Kinetics & Advanced Molecular Dynamics and Chemical Kinetics, 2 Volume Set

Gert Due Billing,Kurt V. Mikkelsen
Introduction to Molecular Dynamics and Chemical Kinetics Advanced Molecular Dynamics and Chemical Kinetics 2 Volume Set Book PDF

Author : Gert Due Billing,Kurt V. Mikkelsen
Publisher : Wiley-Interscience
Page : 0 pages
File Size : 48,9 Mb
Release : 1997-04-11
Category : Science
ISBN : 0471182036

Get Book

Introduction to Molecular Dynamics and Chemical Kinetics & Advanced Molecular Dynamics and Chemical Kinetics, 2 Volume Set by Gert Due Billing,Kurt V. Mikkelsen Pdf

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.

Molecular Reaction Dynamics

Raphael D. Levine
Molecular Reaction Dynamics Book PDF

Author : Raphael D. Levine
Publisher : Cambridge University Press
Page : 574 pages
File Size : 46,5 Mb
Release : 2009-06-04
Category : Technology & Engineering
ISBN : 1139442872

Get Book

Molecular Reaction Dynamics by Raphael D. Levine Pdf

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.

Introduction to Molecular Dynamics and Chemical Kinetics

Gert Due Billing,Kurt V. Mikkelsen
Introduction to Molecular Dynamics and Chemical Kinetics Book PDF

Author : Gert Due Billing,Kurt V. Mikkelsen
Publisher : Wiley-Interscience
Page : 0 pages
File Size : 47,9 Mb
Release : 1996-02-02
Category : Science
ISBN : 0471127396

Get Book

Introduction to Molecular Dynamics and Chemical Kinetics by Gert Due Billing,Kurt V. Mikkelsen Pdf

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.

Theories of Molecular Reaction Dynamics

Niels E. Henriksen,Flemming Y. Hansen
Theories of Molecular Reaction Dynamics Book PDF

Author : Niels E. Henriksen,Flemming Y. Hansen
Publisher : Oxford University Press on Demand
Page : 391 pages
File Size : 47,9 Mb
Release : 2008
Category : Science
ISBN : 9780199203864

Get Book

Theories of Molecular Reaction Dynamics by Niels E. Henriksen,Flemming Y. Hansen Pdf

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.

Molecular Reaction Dynamics and Chemical Reactivity

Raphael D. Levine,Richard Barry Bernstein
Molecular Reaction Dynamics and Chemical Reactivity Book PDF

Author : Raphael D. Levine,Richard Barry Bernstein
Publisher : Oxford University Press, USA
Page : 560 pages
File Size : 40,7 Mb
Release : 1987
Category : Science
ISBN : UOM:39015015997375

Get Book

Molecular Reaction Dynamics and Chemical Reactivity by Raphael D. Levine,Richard Barry Bernstein Pdf

This is a textbook for advanced undergraduate and graduate courses on kinetics or chemical physics. It deals with the molecular-level mechanism of elementary chemical reactions.

Reaction and Molecular Dynamics

A. Lagana,A. Riganelli
Reaction and Molecular Dynamics Book PDF

Author : A. Lagana,A. Riganelli
Publisher : Springer Science & Business Media
Page : 325 pages
File Size : 49,5 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642570513

Get Book

Reaction and Molecular Dynamics by A. Lagana,A. Riganelli Pdf

The amazing growth of computational resources has made possible the modeling of complex chemical processes. To develop these models one needs to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.

Theories of Molecular Reaction Dynamics

Niels E. Henriksen,Flemming Yssing Hansen
Theories of Molecular Reaction Dynamics Book PDF

Author : Niels E. Henriksen,Flemming Yssing Hansen
Publisher : Oxford Graduate Texts
Page : 458 pages
File Size : 40,6 Mb
Release : 2018
Category : Chemical reaction, Conditions and laws of
ISBN : 9780198805014

Get Book

Theories of Molecular Reaction Dynamics by Niels E. Henriksen,Flemming Yssing Hansen Pdf

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. The emphasis is on concepts and insights obtained via analytical theories rather than computational and numerical aspects. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a comprehensive presentation of transition-state theory which plays an important role in practice, and a detailed 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. The second edition includes updated descriptions of adiabatic and non-adiabatic electron-nuclear dynamics, an expanded discussion of classical two-body models of chemical reactions, including the Langevin model, additional material on quantum tunnelling and its implementation in Transition-State Theory, and a more thorough description of the Born and Onsager models for solvation.

An Introduction to Chemical Kinetics

Claire Vallance
An Introduction to Chemical Kinetics Book PDF

Author : Claire Vallance
Publisher : Morgan & Claypool Publishers
Page : 89 pages
File Size : 47,5 Mb
Release : 2017-09-28
Category : Science
ISBN : 9781681746678

Get Book

An Introduction to Chemical Kinetics by Claire Vallance Pdf

The book is a short primer on chemical reaction rates based on a six-lecture first-year undergraduate course taught by the author at the University of Oxford. The book explores the various factors that determine how fast or slowly a chemical reaction proceeds and describes a variety of experimental methods for measuring reaction rates. The link between the reaction rate and the sequence of steps that makes up the reaction mechanism is also investigated. Chemical reaction rates is a core topic in all undergraduate chemistry courses.

Molecular Kinetics in Condensed Phases

Ron Elber,Dmitrii E. Makarov,Henri Orland
Molecular Kinetics in Condensed Phases Book PDF

Author : Ron Elber,Dmitrii E. Makarov,Henri Orland
Publisher : John Wiley & Sons
Page : 289 pages
File Size : 41,8 Mb
Release : 2020-02-10
Category : Science
ISBN : 9781119176770

Get Book

Molecular Kinetics in Condensed Phases by Ron Elber,Dmitrii E. Makarov,Henri Orland Pdf

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.

The Chemical Dynamics and Kinetics of Small Radicals

Kopin Liu
The Chemical Dynamics and Kinetics of Small Radicals Book PDF

Author : Kopin Liu
Publisher : World Scientific
Page : 484 pages
File Size : 40,7 Mb
Release : 1996
Category : Science
ISBN : 9789814317184

Get Book

The Chemical Dynamics and Kinetics of Small Radicals by Kopin Liu Pdf

This book highlights recent progress in the chemistry of radicals. Developments include the growing use of lasers to generate radicals, the application of lasers to provide state, angular, polarization, energy and real-time resolution in kinetics and dynamics experiments, the development of theories for handling the reactions of radicals, and the simulation of the reaction dynamics of increasingly larger systems for direct comparison to experimental results. The book emphasizes the increasing interaction between experimental dynamics, kinetics and theory. It is appropriate for chemistry graduate students and researchers about to enter the field. However, the discussions of some topics progress to a more advanced level so that even an expert will find the book useful.

The Chemical Dynamics and Kinetics of Small Radicals

Kopin Liu,Albert Wagner
The Chemical Dynamics and Kinetics of Small Radicals Book PDF

Author : Kopin Liu,Albert Wagner
Publisher : World Scientific
Page : 488 pages
File Size : 52,5 Mb
Release : 1995
Category : Science
ISBN : 9810229836

Get Book

The Chemical Dynamics and Kinetics of Small Radicals by Kopin Liu,Albert Wagner Pdf

This book highlights recent progress in the chemistry of radicals. Developments include the growing use of lasers to generate radicals, the application of lasers to provide state, angular, polarization, energy and real-time resolution in kinetics and dynamics experiments, the development of theories for handling the reactions of radicals, and the simulation of the reaction dynamics of increasingly larger systems for direct comparison to experimental results. The book emphasizes the increasing interaction between experimental dynamics, kinetics and theory. It is appropriate for chemistry graduate students and researchers about to enter the field. However, the discussions of some topics progress to a more advanced level so that even an expert will find the book useful.

Chemical Kinetics and Reaction Dynamics

Paul L. Houston
Chemical Kinetics and Reaction Dynamics Book PDF

Author : Paul L. Houston
Publisher : Courier Corporation
Page : 354 pages
File Size : 48,7 Mb
Release : 2012-10-10
Category : Science
ISBN : 9780486131696

Get Book

Chemical Kinetics and Reaction Dynamics by Paul L. Houston Pdf

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

Tutorials in Molecular Reaction Dynamics

Mark Brouard,Claire Vallance
Tutorials in Molecular Reaction Dynamics Book PDF

Author : Mark Brouard,Claire Vallance
Publisher : Royal Society of Chemistry
Page : 128 pages
File Size : 47,7 Mb
Release : 2015-11-09
Category : Science
ISBN : 9781782626145

Get Book

Tutorials in Molecular Reaction Dynamics by Mark Brouard,Claire Vallance Pdf

The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of 'Study Boxes' help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.

Chemical Kinetics and Reaction Dynamics

Santosh K. Upadhyay
Chemical Kinetics and Reaction Dynamics Book PDF

Author : Santosh K. Upadhyay
Publisher : Springer Science & Business Media
Page : 256 pages
File Size : 47,8 Mb
Release : 2007-04-29
Category : Science
ISBN : 9781402045479

Get Book

Chemical Kinetics and Reaction Dynamics by Santosh K. Upadhyay Pdf

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.