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Dynamical Collision Theory And Its Applications


Dynamical Collision Theory And Its Applications
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Dynamical Collision Theory And Its Applications


Dynamical Collision Theory And Its Applications
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Author : Sadhan Adhikari
language : en
Publisher: Academic Press
Release Date : 2012-12-02

Dynamical Collision Theory And Its Applications written by Sadhan Adhikari and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Technology & Engineering categories.


Dynamical Collision Theory and Its Applications reviews some of the powerful methods that have evolved for calculating the predictions of dynamical collision theory. Topics range from scattering theory to potential scattering, three- and four-particle scattering, multiparticle scattering, many-particle Lippmann-Schwinger equations, and the connected-kernel approach. This book is comprised of nine chapters; the first of which introduces the reader to the quantum theory of scattering. This topic is followed by a discussion on two-particle potential scattering and various methods for calculating off-shell two-body amplitudes as well as approximating them by finite-rank forms. The next chapters focus on the interpretation and applicability of the multichannel, multiparticle Lippmann-Schwinger equations, along with the known N-particle connected-kernel integral equations and their physical predictions. Descriptions of contemporary field-theoretical and relativistic approaches, such as the Dirac phenomenology for intermediate energy nucleon-nucleus scattering, are included. The singularity structure of multiparticle amplitudes and the associated dispersion-relation techniques are also considered. This book concludes by describing the relationship between the conventional (optical potentials, multiple-scattering theories, and the coupled-reaction channel and resonating-group methods) and the few-body approaches. This text is primarily intended for chemists, physicists, and graduate students interested in general scattering theory; intermediate and low-energy hadron and nuclear physics; atomic and molecular physics; statistical mechanics; and physical and quantum chemistry. There are a number of topics in this book that will be interesting to both mathematicians and particle physicists, as well as advanced graduate students in courses that involve collision theory.



Chemical Kinetics And Reaction Dynamics


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.



Reaction Rate Theory And Rare Events


Reaction Rate Theory And Rare Events
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Author : Baron Peters
language : en
Publisher: Elsevier
Release Date : 2017-03-22

Reaction Rate Theory And Rare Events written by Baron Peters and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-03-22 with Technology & Engineering categories.


Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. - Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere - Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events - Uses graphics and explicit examples to explain concepts - Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises



A Textbook Of Physical Chemistry Volume 1


A Textbook Of Physical Chemistry Volume 1
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Author : Mandeep Dalal
language : en
Publisher: Dalal Institute
Release Date : 2018-01-01

A Textbook Of Physical Chemistry Volume 1 written by Mandeep Dalal and has been published by Dalal Institute this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-01-01 with Science categories.


An advanced-level textbook of physical chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled "A Textbook of Physical Chemistry – Volume I, II, III, IV". CONTENTS: Chapter 1. Quantum Mechanics – I: Postulates of quantum mechanics; Derivation of Schrodinger wave equation; Max-Born interpretation of wave functions; The Heisenberg’s uncertainty principle; Quantum mechanical operators and their commutation relations; Hermitian operators (elementary ideas, quantum mechanical operator for linear momentum, angular momentum and energy as Hermition operator); The average value of the square of Hermitian operators; Commuting operators and uncertainty principle(x & p; E & t); Schrodinger wave equation for a particle in one dimensional box; Evaluation of average position, average momentum and determination of uncertainty in position and momentum and hence Heisenberg’s uncertainty principle; Pictorial representation of the wave equation of a particle in one dimensional box and its influence on the kinetic energy of the particle in each successive quantum level; Lowest energy of the particle. Chapter 2. Thermodynamics – I: Brief resume of first and second Law of thermodynamics; Entropy changes in reversible and irreversible processes; Variation of entropy with temperature, pressure and volume; Entropy concept as a measure of unavailable energy and criteria for the spontaneity of reaction; Free energy, enthalpy functions and their significance, criteria for spontaneity of a process; Partial molar quantities (free energy, volume, heat concept); Gibb’s-Duhem equation. Chapter 3. Chemical Dynamics – I: Effect of temperature on reaction rates; Rate law for opposing reactions of Ist order and IInd order; Rate law for consecutive & parallel reactions of Ist order reactions; Collision theory of reaction rates and its limitations; Steric factor; Activated complex theory; Ionic reactions: single and double sphere models; Influence of solvent and ionic strength; The comparison of collision and activated complex theory. Chapter 4. Electrochemistry – I: Ion-Ion Interactions: The Debye-Huckel theory of ion- ion interactions; Potential and excess charge density as a function of distance from the central ion; Debye Huckel reciprocal length; Ionic cloud and its contribution to the total potential; Debye - Huckel limiting law of activity coefficients and its limitations; Ion-size effect on potential; Ion-size parameter and the theoretical mean-activity coefficient in the case of ionic clouds with finite-sized ions; Debye - Huckel-Onsager treatment for aqueous solutions and its limitations; Debye-Huckel-Onsager theory for non-aqueous solutions; The solvent effect on the mobality at infinite dilution; Equivalent conductivity (Λ) vs. concentration c 1/2 as a function of the solvent; Effect of ion association upon conductivity (Debye- Huckel - Bjerrum equation). Chapter 5. Quantum Mechanics – II: Schrodinger wave equation for a particle in a three dimensional box; The concept of degeneracy among energy levels for a particle in three dimensional box; Schrodinger wave equation for a linear harmonic oscillator & its solution by polynomial method; Zero point energy of a particle possessing harmonic motion and its consequence; Schrodinger wave equation for three dimensional Rigid rotator; Energy of rigid rotator; Space quantization; Schrodinger wave equation for hydrogen atom, separation of variable in polar spherical coordinates and its solution; Principle, azimuthal and magnetic quantum numbers and the magnitude of their values; Probability distribution function; Radial distribution function; Shape of atomic orbitals (s,p & d). Chapter 6. Thermodynamics – II: Classius-Clayperon equation; Law of mass action and its thermodynamic derivation; Third law of thermodynamics (Nernest heat theorem, determination of absolute entropy, unattainability of absolute zero) and its limitation; Phase diagram for two completely miscible components systems; Eutectic systems, Calculation of eutectic point; Systems forming solid compounds Ax By with congruent and incongruent melting points; Phase diagram and thermodynamic treatment of solid solutions. Chapter 7. Chemical Dynamics – II: Chain reactions: hydrogen-bromine reaction, pyrolysis of acetaldehyde, decomposition of ethane; Photochemical reactions (hydrogen - bromine & hydrogen -chlorine reactions); General treatment of chain reactions (ortho-para hydrogen conversion and hydrogen - bromine reactions); Apparent activation energy of chain reactions, Chain length; Rice-Herzfeld mechanism of organic molecules decomposition(acetaldehyde); Branching chain reactions and explosions ( H2-O2 reaction); Kinetics of (one intermediate) enzymatic reaction : Michaelis-Menton treatment; Evaluation of Michaelis 's constant for enzyme-substrate binding by Lineweaver-Burk plot and Eadie-Hofstae methods; Competitive and non-competitive inhibition. Chapter 8. Electrochemistry – II: Ion Transport in Solutions: Ionic movement under the influence of an electric field; Mobility of ions; Ionic drift velocity and its relation with current density; Einstein relation between the absolute mobility and diffusion coefficient; The Stokes- Einstein relation; The Nernst -Einstein equation; Walden’s rule; The Rate-process approach to ionic migration; The Rate process equation for equivalent conductivity; Total driving force for ionic transport, Nernst - Planck Flux equation; Ionic drift and diffusion potential; the Onsager phenomenological equations; The basic equation for the diffusion; Planck-Henderson equation for the diffusion potential.



Collision Theory


Collision Theory
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Author : Marvin L. Goldberger
language : en
Publisher: Courier Corporation
Release Date : 2004-01-01

Collision Theory written by Marvin L. Goldberger and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-01-01 with Science categories.


A systematic description of the basic principles of collision theory, this graduate-level text presents a detailed examination of scattering processes and formal scattering theory, the two-body problem with central forces, scattering by noncentral forces, lifetime and decay of virtual states, an introduction to dispersion theory, and more. 1964 edition.



A New Development At The Intersection Of Nuclear Structure And Reaction Theory


A New Development At The Intersection Of Nuclear Structure And Reaction Theory
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Author : Steven Karataglidis
language : en
Publisher: Springer
Release Date : 2019-06-22

A New Development At The Intersection Of Nuclear Structure And Reaction Theory written by Steven Karataglidis and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-22 with Science categories.


This book highlights a major advance in low-energy scattering theory: the Multi-Channel Algebraic Scattering (MCAS) theory, which represents an attempt to unify structure and reaction theory. It solves the Lippmann–Schwinger equations for low-energy nucleon-nucleus and alpha-nucleus scattering in momentum space, allowing both the bound and scattering states in the compound nucleus formed to be described. Results of various cases are presented and discussed.



Relativistic Aspects Of Nuclear Physics Proceedings Of The Third International Workshop


Relativistic Aspects Of Nuclear Physics Proceedings Of The Third International Workshop
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Author : Takeshi Kodama
language : en
Publisher: World Scientific
Release Date : 1995-02-17

Relativistic Aspects Of Nuclear Physics Proceedings Of The Third International Workshop written by Takeshi Kodama and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-02-17 with categories.


This book contains invited review papers and short notes presented at the International Conference on Physics, Chemistry and Application of Nanostructures (Nanomeeting 2003).



Photodissociation Dynamics


Photodissociation Dynamics
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Author : Reinhard Schinke
language : en
Publisher: Cambridge University Press
Release Date : 1995-05-11

Photodissociation Dynamics written by Reinhard Schinke 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 1995-05-11 with Science categories.


Photodissociation induced by the absorption of single photons permits the detailed study of molecular dynamics such as the breaking of bonds, internal energy transfer and radiationless transitions. The availability of powerful lasers operating over a wide frequency range has stimulated rapid development of new experimental techniques which make it possible to analyse photodissociation processes in unprecedented detail. This text elucidates the achievements in calculating photodissociation cross-sections and fragment state distributions from first principles, starting from multi-dimensional potential energy surfaces and the Schrödinger equation of nuclear motion. Following an extended introduction in which the various types of observables are outlined, the book summarises the basic theoretical tools, namely the time-independent and the time-dependent quantum mechanical approaches as well as the classical picture of photodissociation. The discussions of absorption spectra, diffuse vibrational structures, the vibrational and rotational state distributions of the photofragments form the core of the book. More specific topics such as the dissociation of vibrationally excited molecules, emission during dissociation, or nonadiabatic effects are also discussed. It will be of interest to graduate students and senior scientists working in molecular physics, spectroscopy, molecular collisions and molecular kinetics.



Dielectric Relaxation And Dynamics Of Polar Molecules


Dielectric Relaxation And Dynamics Of Polar Molecules
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Author : Myron W Evans
language : en
Publisher: World Scientific
Release Date : 1999-04-29

Dielectric Relaxation And Dynamics Of Polar Molecules written by Myron W Evans and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-04-29 with Science categories.


The topics covered in this book provide a qualitative and sometimes quantitative classic description of the wide-band 0-THz dielectric spectra of polar liquids, molecular libration-rotation (which is the reason for dielectric loss and absorption of electromagnetic waves), simple molecular models differing by the intermolecular-potential profiles, and present a comparison between the theoretical and experimental dependencies and derivation of the main results. A new feature is the application of a number of analytical models to different substances, including strongly absorbing nonassociating liquids, liquid water, water bound by macromolecules, and gas-like liquids. The presentation of the theory in this book is also new. It is based on the dynamic method in which the Brownian reorientations are considered implicitly, without direct solution of stochastic equations. This approach simplifies the theory. Senior students and experimentalists will find many of the results valuable.



Quantum Mechanics In Chemistry


Quantum Mechanics In Chemistry
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Author : George C. Schatz
language : en
Publisher: Courier Corporation
Release Date : 2012-04-30

Quantum Mechanics In Chemistry written by George C. Schatz and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-04-30 with Science categories.


Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.