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Semiclassical Mechanics With Molecular Applications

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Semiclassical Mechanics with Molecular Applications

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Semiclassical Mechanics with Molecular Applications by M. S. Child Book Summary:

Semiclassical mechanics, which stems from the old quantum theory, has seen a remarkable revival in recent years as a physically intuitive and computationally accurate scheme for the interpretation of modern experiments. The main text concentrates less on the mathematical foundations than on the global influence of the classical phase space structures on the quantum mechanical observables. Further mathematical detail is contained in the appendices. Worked problem sets are included as an aid to the student.

A Trajectory Description of Quantum Processes. I. Fundamentals

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A Trajectory Description of Quantum Processes. I. Fundamentals by Ángel S. Sanz,Salvador Miret-Artés Book Summary:

Trajectory-based formalisms are an intuitively appealing way of describing quantum processes because they allow the use of "classical" concepts. Beginning at an introductory level suitable for students, this two-volume monograph presents (1) the fundamentals and (2) the applications of the trajectory description of basic quantum processes. This first volume is focussed on the classical and quantum background necessary to understand the fundamentals of Bohmian mechanics, which can be considered the main topic of this work. Extensions of the formalism to the fields of open quantum systems and to optics are also proposed and discussed.

Global and Accurate Vibration Hamiltonians from High-Resolution Molecular Spectroscopy

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Global and Accurate Vibration Hamiltonians from High-Resolution Molecular Spectroscopy by Michel Herman,Jacques Lievin,Jean Vander Auwera,Alain Campargue Book Summary:

The latest in a series providing chemical physicists with a forum for critical, authoritative evaluations of advances in every area of the discipline, this stand-alone volume focuses on using high resolution molecular spectroscopy to arrive at global and accurate Vibration Hamiltonians.

Quantum Control of Molecular Processes

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Quantum Control of Molecular Processes by Moshe Shapiro,Paul Brumer Book Summary:

Written by two of the world's leading researchers in the field, this is a systematic introduction to the fundamental principles of coherent control, and to the underlying physics and chemistry. This fully updated second edition is enhanced by 80% and covers the latest techniques and applications, including nanostructures, attosecond processes, optical control of chirality, and weak and strong field quantum control. Developments and challenges in decoherence-sensitive condensed phase control as well as in bimolecular control are clearly described. Indispensable for atomic, molecular and chemical physicists, physical chemists, materials scientists and nanotechnologists.

Studies in Semiclassical Mechanics

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Studies in Semiclassical Mechanics by James Jordan Morehead Book Summary:

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Application of Semiclassical Methods to Reaction Rate Theory

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Application of Semiclassical Methods to Reaction Rate Theory by Rigoberto Hernandez Book Summary:

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Quantum and Semiclassical Aspects of Chemical Dynamics

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Quantum and Semiclassical Aspects of Chemical Dynamics by Sarin Anantprakash Deshpande Book Summary:

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Advances in Chemical Physics

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Advances in Chemical Physics by Ilya Prigogine,Stuart Alan Rice Book Summary:

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Comments on Atomic and Molecular Physics

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Comments on Atomic and Molecular Physics by N.A Book Summary:

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Theory and Application of Quantum Molecular Dynamics

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Theory and Application of Quantum Molecular Dynamics by John Z. H. Zhang Book Summary:

This book gives an updated and detailed presentation of modern quantum-mechanical treatments and practical computational methods for dynamical processes of small molecular systems. The main emphasis is on the recent development of successful theories and computational methods for the reactive scattering process. Specific applications are given in detail for a number of benchmark chemical reaction systems in the gas phase and gas surface. Differing from traditional physics books focusing on abstract collision theory for elastic collisions, the book has been written in a fashion in which the development of general reactive or rearrangement scattering theory is accompanied by practical applications for realistic reaction systems.

Atomic, Molecular, and Optical Physics Handbook

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Atomic, Molecular, and Optical Physics Handbook by Gordon W.F. Drake Book Summary:

Here is the first single volume to bridge the many interrelated disciplines of atomic, molecular, and optical physics (AMOP). An invaluable ready reference for many scientists, the Atomic, Molecular, & Optical Physics Handbook offers a broad compendium of key AMOP ideas, formulae, techniques, and results. To ensure that this ambitious publication covers the most important areas for scientists today, the editor first surveyed members of The American Physical Society's Division of Atomic, Molecular, and Optical Physics and other leading researchers. Editor Gordon W. F. Drake and an eleven-member Editorial Board arranged the topics by subject and assigned experts to write individual chapters. Over 100 authors, all leaders in their respective disciplines, contributed. The AMOP Handbook's 88 chapters are divided into seven broad areas: mathematical methods, molecules, scattering experiment, applications, atoms, scattering theory, and quantum optics. Chapters are extensively cross-referenced to bring out important relationships in different disciplines. They also feature helpful diagrams of apparatus, graphical presentations of data, and tabular material. A comprehensive index of over 4,300 entries makes it easy to find information on any topic. Physicists, engineers, teachers, and students will find the AMOP Handbook to be both an authoritative resource and an essential guide to the field.

Handbook of Molecular Physics and Quantum Chemistry, 3 Volume Set

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Handbook of Molecular Physics and Quantum Chemistry, 3 Volume Set by Stephen Wilson,Peter F. Bernath,Roy McWeeny Book Summary:

Published in three volumes, this comprehensive reference work brings together in a single source for the first time, a detailed presentation of the most important theoretical concepts and methods for the study of molecules and molecular systems. The logical format of the Handbook allows the reader to progress from the foundations of the field to the most important and exciting areas of current research. Edited and written by an outstanding international team, and containing over 100 articles written by more than 50 contributors, it will be invaluable for both the expert researcher and the graduate student or postdoctoral worker active in any of the broad range of fields where these concepts and methods are important. Comprises three themed volumes: * Fundamentals * Molecular Electronic Structure * Molecules in the Physico-Chemical Environment: Spectroscopy, Dynamics and Bulk Properties * Presents detailed articles covering the key topics, presented in a didactic manner * Focuses both on theory and the relation of experiment to theory Volume 1, Fundamentals presents the foundations of molecular physics and quantum chemistry. It consists of 7 parts arranged as follows:- Part 1 Introduction Part 2 Elements of Quantum Mechanics Part 3 Orbital Models for Atomic, Molecular and Crystal Structure Part 4 Symmetry Groups and Molecular Structure Part 5 Second Quantization and Many-Body Methods Part 6 Approximate Separation of Electronic and Nuclear Motion Part 7 Quantum Electrodynamics of Atoms and Molecules The central problem of molecular physics and quantum chemistry is the description of atomic and molecular electronic structure. The development of appropriate models for the description of the effects of electron correlation and of relativity are key components of the analysis. Volume 2, Molecular Electronic Structure, addresses these topics, and consists of 7 parts arranged as follows: Part 1 Approximation methods Part 2 Orbital Models and Generalized Product Functions Part 3 Electron correlation Part 4 Relativistic molecular electronic structure Part 5 Electronic structure of large molecules Part 6 Computational quantum chemistry Part 7 Visualization and interpretation of molecular electronic structure In reality no molecular system exists in isolation. Molecules interact with other atoms and molecules, and with their environment. Volume 3, Molecules in the Physico-Chemical Environment - Spectroscopy, Dynamics and Bulk Properties, consists of 7 parts arranged as follows:- Part 1 Response theory and propagator methods Part 2 Interactions between molecules Part 3 Molecules in different environments Part 4 Molecular Electronic spectra Part 5 Atomic Spectroscopy and Molecular Vibration-Rotation Spectroscopy Part 6 Molecular dynamics and dynamical processes Part 7 Bulk properties

The Theory of Intermolecular Forces

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The Theory of Intermolecular Forces by Anthony J. Stone,University Lecturer Department of Chemistry Fellow of Emmanuel College A J Stone Book Summary:

The theory of intermolecular force has advanced greatly in the last ten or fifteen years. The improved experimental and computational methods have made it possible to develop much more meticulous descriptions, and simple empirical models are no longer adequate to account for the detailed and accurate experimental measurements that are now available. Therefore a knowledge of advanced mathematical techniques is essential. The Theory of Intermolecular Forces is the first book to fully describe these techniques. Stone explains recent advances and sets out the mathematical techniques needed to handle the more elaborate models being used increasingly by both theoreticians and experimentalists in spectroscopy, molecular dynamics, and molecular modelling. Techniques described include the use of higher-rank multipole moments to describe electrostatic interactions, Cartesian and spherical tensor methods, and modern ab initio perturbation theories of intermolecular interactions

Semiclassical Analysis of Solar Neutrino Data

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Semiclassical Analysis of Solar Neutrino Data by John Francis Beacom Book Summary:

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Monte Carlo Methods in Chemical Physics

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Monte Carlo Methods in Chemical Physics by David M. Ferguson,J. Ilja Siepmann,Donald G. Truhlar,Ilya Prigogine,Stuart A. Rice Book Summary:

In Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations J. Ilja Siepmann Random Number Generators for Parallel Applications Ashok Srinivasan, David M. Ceperley and Michael Mascagni Between Classical and Quantum Monte Carlo Methods: "Variational" QMC Dario Bressanini and Peter J. Reynolds Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics M. P. Nightingale and C.J. Umrigar Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties Robert Q. Topper Monte Carlo Sampling for Classical Trajectory Simulations Gilles H. Peslherbe Haobin Wang and William L. Hase Monte Carlo Approaches to the Protein Folding Problem Jeffrey Skolnick and Andrzej Kolinski Entropy Sampling Monte Carlo for Polypeptides and Proteins Harold A. Scheraga and Minh-Hong Hao Macrostate Dissection of Thermodynamic Monte Carlo Integrals Bruce W. Church, Alex Ulitsky, and David Shalloway Simulated Annealing-Optimal Histogram Methods David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems Juan J. de Pablo and Fernando A. Escobedo Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria John Valleau Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines David A. Kofke Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids J. Ilja Siepmann Reactive Canonical Monte Carlo J. Karl Johnson New Monte Carlo Algorithms for Classical Spin Systems G. T. Barkema and M.E.J. Newman

Laser Techniques for Condensed-phase and Biological Systems

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Laser Techniques for Condensed-phase and Biological Systems by Norbert F. Scherer,Janice M. Hicks Book Summary:

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Physical Review

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Physical Review by N.A Book Summary:

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Computational Molecular Spectroscopy

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Computational Molecular Spectroscopy by Per Jensen,Philip R. Bunker,Philip R.. Bunker Book Summary:

This book describes the use of modern computational methods in predicting high resolution molecular spectra, which allows the experimental spectroscopist to interpret and assign real spectra. * Offers a comprehensive treatment of modern computation techniques. * Provides a collection of material from different areas of theoretical chemistry and physics. * Bridges the gap between traditional quantum chemistry and experimental molecular spectroscopy.

Journal of Physics

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Journal of Physics by N.A Book Summary:

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Nuclear Energy

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Nuclear Energy by Alvin M. Weinberg Book Summary:

Eugene Wigner is one of the very few scientists that may safely be describedas creators of 20th-century physics. This volume of his Collected Works is devoted to his contributions to nuclear energy. In his Introduction and Annotations A.M. Weinberg surveys Wigner's contributions to nuclear-reaction physics and nuclear engineering, at the same time giving a glimpse of the early history of nuclear-reactor technology. Wigner himself gave a lively and critical account, which is published in this volume for the first time. Furthermore the book contains forty-two reports and memoranda from 1941 to 1945 and twelve of Wigner's many patents relating to nuclear energy.

The Collected Works of Eugene Paul Wigner

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The Collected Works of Eugene Paul Wigner by Eugene Paul Wigner Book Summary:

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Philosophers in the Laboratory

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Philosophers in the Laboratory by Valeria Mosini Book Summary:

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A New Dimension to Quantum Chemistry

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A New Dimension to Quantum Chemistry by Yukio Yamaguchi,Center for Computational Quantum Chemistry Yukio Yamaguchi,Henry F. Schaefer, III,Yoshihiro Osamura,John D. Goddard,Professor of Chemistry J Goddard,Both at Center for Computational Quantum Chemistry Henry F Schaefer Book Summary:

In modern theoretical chemistry, the importance of the analytic evaluation of energy derivatives from reliable wave functions can hardly be overestimated. This monograph presents the formulation and implementation of analytical energy derivative methods in ab initio quantum chemistry. It includes a systematic presentation of the necessary algebraic formulae for all of the derivations. The coverage is limited to derivative methods for wave functions based on the variational principle, namely restricted Hartree-Fock (RHF), configuration interaction (CI) and multi-configuration self-consistent-field (MCSCF) wave functions. The monograph is intended to facilitate the work of quantum chemists, and will serve as a useful resource for graduate-level students of the field.

Challenges in Synthetic Organic Chemistry

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Challenges in Synthetic Organic Chemistry by Teruaki Mukaiyama Book Summary:

This volume describes the life's work of Professor Teruaki Mukaiyama, one of Japan's most important and respected synthetic organic chemists. It includes information on his early research into a wide range of reactions, including dehydration reactions, the use of organosulfur compounds, and oxidation-reduction condensations in peptide and nucleotide synthesis reagents, as well as an account of Mukaiyama's important work on the applications of titanium compounds in organic synthesis. Three final chapters review Mukaiyama's work in synthetic control, stereoselective synthesis of carbohydrates, the stereoselective aldol, and Michael reactions. This unique book makes accessible much research that has only been available in Japanese, and provides a rare account of the contributions of one of the world's leading chemists.

An Atlas of Fullerenes

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An Atlas of Fullerenes by P. W. Fowler,D. E. Manolopoulos,Lecturer in Physical Chemistry Department of Chemistry D E Manolopoulos Book Summary:

An Atlas of Fullerenes is the first comprehensive introduction to a subject of growing interest among chemists and physicists. Emphasizing the "first order" results that apply to the family as a whole, the atlas covers methods for generating and enumerating fullerene polyhedra, the systematic classification of electronic and spectroscopic signatures of fullerene isomers, isomerization via the Stone Wales re-arrangement, and hypothetical mechanisms for formation and fragmentation. Throughout, the text is complemented by a comprehensive catalog--almost 200 pages of pictures and tables--of fullerene isomers and documentation of a computer program that can be used to extend the catalog. The structural diversity encompassed by the fullerene definition of a trivalent carbon cage containing only pentagonal and hexagonal rings is simply staggering. An Atlas of Fullerenes, however, offers a systematic approach to the subject in what will surely be the standard reference for students, experimentalists who want to identify new fullerenes, computational chemists and physicists who seek to predict stable isomers and investigate general trends, and mathematicians attempting to unravel the secrets of this fascinating class of polyhedra.

The Organic Chemistry of Aliphatic Nitrogen Compounds

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The Organic Chemistry of Aliphatic Nitrogen Compounds by Ben R. Brown Book Summary:

In recent years there have been considerable advances in organonitrogen chemistry, and many important new reagents and synthetic methods have been developed. This is a comprehensive, definitive modern account of the organic chemistry of aliphatic nitrogen compounds, which will serve as aninvaluable reference for all workers in the field.Each chapter begins with a brief introduction, which is followed by a detailed account of the preparation of the type of compound under consideration. Reactivity and reactions - including mechanistic aspects - are then discussed. All the main classes of compound, with the exception of aminoacids, are included. The book is highly referenced and provides a unique review of an important area of organic chemistry.

Chemical Chaos

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Chemical Chaos by Stephen K. Scott,Stephen K.. Scott Book Summary:

Table of contents: 1. Introduction. 2. Mappings. 3. Flows. 1. Two-variable systems. 4. Flows II. Three-vairable systems. 5. Forced systems. 6. Coupled systems. 7.Experimental methods. 8. The Belousov-Zhabotinskii reaction and other solution-phase reactions. 9. Gas-phase reactions. 10. Heterogeneous catalysis. 11. Electrodissolution reactions. 12. Biochemical systems. Index.

The Journal of Chemical Physics

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The Journal of Chemical Physics by N.A Book Summary:

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Journal of the Chinese Chemical Society ...

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Journal of the Chinese Chemical Society ... by Chinese Chemical Society Book Summary:

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Journal of the Physical Society of Japan

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Journal of the Physical Society of Japan by Nihon Butsuri Gakkai Book Summary:

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Multidimensional Quantum Mechanics with Trajectories

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Multidimensional Quantum Mechanics with Trajectories by Dimitrii V. Shalashilin,Marcelo P. De Miranda Book Summary:

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Chemical Reactions and Their Control on the Femtosecond Time Scale

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Chemical Reactions and Their Control on the Femtosecond Time Scale by Pierre Gaspard,Irene Burghardt Book Summary:

Continuing the tradition of the Advances in Chemical Physics series, Volume 101: Chemical Reactions and Their Control on the Femtosecond Time Scale details the extraordinary findings reported at the XXth Solvay Conference on Chemistry, held at the Université Libre de Bruxelles, Belgium, from November 28 to December 2, 1995. This new volume discusses the remarkable opportunities afforded by the femtosecond laser, focusing on the host of phenomena this laser has made it possible to observe. Examining molecules on the intrinsic time scale of their vibrations as well as their dissociative motions and electronic excitations represents only part of a broadened scientific window made possible by the femtosecond laser. The assembled studies, with follow-up discussions, reflect the many specialties and perspectives of the Conference's 65 participants as well as their optimism concerning the breadth of scientific discovery now open to them. The studies shed light on the laser's enhanced technical reach in the area of coherent control of chemical reactions as well as of more general quantum systems. The theoretical fundamentals of femto-chemistry, the unique behavior of the femtosecond laser, and a view toward future technological applications were also discussed: Femtochemistry: chemical reaction dynamics and their control Coherent control with femtosecond laser pulses Femtosecond chemical dynamics in condensed phases Control of quantum many-body dynamics Experimental observation of laser control Solvent dynamics and RRKM theory of clusters High-resolution spectroscopy and intramolecular dynamics Molecular Rydberg states and ZEKE spectroscopy Transition-state spectroscopy and photodissociation Quantum and semiclassical theories of chemical reaction rates. A fascinating and informative status report on the cutting-edge chemical research made possible by the femtosecond laser, Chemical Reactions and Their Control on the Femtosecond Time Scale is an indispensable volume for professionals and students alike. The femtosecond laser and chemistry's extraordinary new frontier of molecular motions observed on the scale of a quadrillionth of a second. Research chemists have only tapped the surface of the spectacular reach and precision of the femtosecond laser, a technology that has allowed them to observe the dynamics of molecules on the intrinsic time scale of their vibrations, dissociative motions, and electronic excitations. Volume 101 in the Advances in Chemical Physics series, Chemical Reactions and Their Control on the Femtosecond Time Scale details their extraordinary findings, presented at the XXth Solvay Conference on Chemistry, in Brussels. The studies reflect the work, in part, of the Conference's 65 participants, including many prominent contributors. Together they shed light on the laser's enhanced technical range in the area of coherent control of chemical reactions as well as of more general quantum systems. The theoretical fundamentals of femtochemistry, the unique behavior of the femtosecond laser, and a view toward future technological applications were also discussed. An exceptionally up-to-date examination of the chemical analyses made possible by the femtosecond laser, Chemical Reactions and Their Control on the Femtosecond Time Scale is an important reference for professionals and students interested in enhancing their research capabilities with this remarkable tool. From 1993 to 1996, she worked with Dr. P. Gaspard at the Université Libre de Bruxelles, Belgium, on the application of new semiclassical techniques to elementary chemical reaction processes.

Acta Physica Polonica

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Acta Physica Polonica by N.A Book Summary:

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The Meaning of Quantum Theory

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The Meaning of Quantum Theory by Jim Baggott,Environmental Officer Lubricants Marketing Jim Baggott,J. E. Baggott Book Summary:

Why is quantum theory so difficult to understand? In this book, written for both undergraduate and graduate students of chemistry and physics, the author looks at the continuing debate about the meaning of quantum theory. The historical development of the theory is traced from the turn of the century through to the 1930s, and the famous debate between Niels Bohr and Albert Einstein. The book examines in detail the arguments that quantum theory is incomplete, as made by Einstein, Boris Podolsky, and Nathan Rosen; the development of Bell's theorem; and crucial experimental tests performed in the early 1980s. Alternative interpretations -- pilot waves, quantum gravity, consciousness, and many worlds -- are described in the closing chapter. This is an ideal text for advanced undergraduate and graduate students of chemistry and physics, and for academic scientists not involved in mainstream quantum theory.

Advances in Chemical Physics

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Advances in Chemical Physics by Stuart A. Rice Book Summary:

Previously published as : Valuation of intellectual property and intangible assests / Gordon V. Smith and Russell L. Parr. 3rd ed., c2000.

Journal of Physics A

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Journal of Physics A by N.A Book Summary:

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Physica E.

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Physica E. by N.A Book Summary:

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The Australian Physicist

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The Australian Physicist by N.A Book Summary:

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