Dynamics Of Molecules And Chemical Reactions
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Author | : Robert Wyatt |
Publisher | : CRC Press |
Total Pages | : 692 |
Release | : 1996-06-27 |
Genre | : Science |
ISBN | : 9780824795382 |
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Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.
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 | : Mark Brouard |
Publisher | : |
Total Pages | : 0 |
Release | : 2012 |
Genre | : Chemical reaction, Conditions and laws of |
ISBN | : 9781849735308 |
Download Tutorials in Molecular Reaction Dynamics Book in PDF, Epub and Kindle
Written by internationally recognised researchers this easy to use textbook on molecular reaction dynamics has the young scientist in mind.
Author | : Joel M Bowman |
Publisher | : World Scientific |
Total Pages | : 603 |
Release | : 2022-06-14 |
Genre | : Science |
ISBN | : 9811237921 |
Download Vibrational Dynamics Of Molecules Book in PDF, Epub and Kindle
Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
Author | : Peter M Rentzepis |
Publisher | : |
Total Pages | : 624 |
Release | : 1986 |
Genre | : Chemical kinetics |
ISBN | : 9789400947351 |
Download Advances in Chemical Reaction Dynamics Book in PDF, Epub and Kindle
Author | : Niels E. Henriksen |
Publisher | : Oxford Graduate Texts |
Total Pages | : 458 |
Release | : 2018 |
Genre | : Chemical reaction, Conditions and laws of |
ISBN | : 0198805012 |
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. 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.
Author | : Xueming Yang |
Publisher | : World Scientific |
Total Pages | : 539 |
Release | : 2004 |
Genre | : Science |
ISBN | : 9812389237 |
Download Modern Trends in Chemical Reaction Dynamics Book in PDF, Epub and Kindle
Annotation Provides a detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. Topics include the Doppler-selected time-of-flight technique, multimass ion imaging, and photodissociation dynamics of free radicals.
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 | : D.C. Clary |
Publisher | : Springer Science & Business Media |
Total Pages | : 420 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 940094618X |
Download The Theory of Chemical Reaction Dynamics Book in PDF, Epub and Kindle
The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry. The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made in developing experimental techniques, such as lasers and molecular beams, to probe the microscopic details of chemical reactions. For example, it is now becoming possible to measure cross sections for chemical reactions state selected in the vibrational rotational states of both reactants and products. Furthermore, in areas such as atmospheric, combustion and interstellar chemistry, there is an urgent need for reliable reaction rate constant data over a range of temperatures, and this information is often difficult to obtain in experiments. The classical trajectory method can be applied routinely to simple reactions, but this approach neglects important quantum mechanical effects such as tunnelling and resonances. For all these reasons, the quantum theory of reactive scattering is an area that has received considerable attention recently. This book describes the proceedings of a NATO Advanced Research Workshop held at CECAM, Orsay, France in June, 1985. The Workshop concentrated on a critical examination and discussion of the recent developments in the theory of chemical reaction dynamics, with particular emphasis on quantum theories. Several papers focus on exact theories for reactions.
Author | : Raphael D. Levine |
Publisher | : Oxford University Press, USA |
Total Pages | : 268 |
Release | : 1974 |
Genre | : Science |
ISBN | : |
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