Download or read book Theoretical Methods in Condensed Phase Chemistry written by S.D. Schwartz and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping.
Download or read book Chemical Dynamics in Condensed Phases written by Abraham Nitzan and published by Oxford University Press. This book was released on 2006-04-06 with total page 742 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graduate level textbook presenting some of the most fundamental processes that underlie physical, chemical and biological phenomena in complex condensed phase systems. Includes in-depth descriptions of relevant methodologies, and provides ample introductory material for readers of different backgrounds.
Download or read book Chemical Physics of Molecular Condensed Matter written by Kazuya Saito and published by Springer Nature. This book was released on 2020-10-09 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book fills a gap in knowledge between chemistry- and physics-trained researchers about the properties of macroscopic (bulk) material. Although many good textbooks are available on solid-state (or condensed matter) physics, they generally treat simple systems such as simple metals and crystals consisting of atoms. On the other hand, textbooks on solid-state chemistry often avoid descriptions of theoretical background even at the simplest level. This book gives coherent descriptions from intermolecular interaction up to properties of condensed matter ranging from isotropic liquids to molecular crystals. By omitting details of specific systems for which comprehensive monographs are available—on liquid crystals and molecular conductors, for instance—this book highlights the effects of molecular properties, i.e., the presence of the shape and its deformation on the structure and properties of molecular systems.
Download or read book Chemical Physics and the Condensed Phase written by and published by . This book was released on 2008 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Liquid crystals are an excellent media for the study of the condensed phase by NMR spectroscopy since the highly accurate proton dipolar couplings do not average to zero as they do in the isotropic condensed phase. Of course we can also take the opposite view and seek to understand the behavior of individual molecules and the effect of the condensed phase on them and so the impetus for studies of solutes in liquid crystals is two fold. By coupling theory to experiment via dipolar couplings one can gain insight into aspects of chemical physics and the condensed phase provided the spectra can be solved. As the number of spins of a molecule and its lack of symmetry increase so do the complexity of NMR spectra of solutes in orientationally ordered phases. Covariance Matrix Adaptation Evolutionary Strategies (CMA-ES) have proven to be remarkably useful towards the end of obtaining dipolar couplings from congested spectra. In essence this algorithm uses the principles of natural selection coupled with an aspect of cross-generational memory to find the set of spectral parameters at the global minima of an error surface which reproduce the experimental spectrum. It is not an overstatement to say this tool has significantly altered the allocation of efforts in the area of research presented here. In the research herein two approaches are employed which are complimentary. In the first chapters we use a diversity of solutes to test postulated interaction Hamiltonians intended to describe the intermolecular environment of nematic and smectic A phases. The putative Hamiltonians are fitted to solute order parameters obtained from dipolar couplings. Once an explicit form is obtained, reasonable speculation is made concerning what the Hamiltonian can tell us about the intermolecular environment of the condensed phases studied. In the latter chapters the complimentary view is taken. Specifically we attempt to understand how internal rotations of molecules are affected by the condens.
Download or read book Reaction In Condensed Phases written by Henry Eyring and published by Elsevier. This book was released on 2012-12-02 with total page 817 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Chemistry: An Advanced Treatise: Reactions in Condensed Phases, Volume VII, deals with reactions in condensed phases. The purpose of this treatise is to present a comprehensive treatment of physical chemistry for advanced students and investigators in a reasonably small number of volumes. An attempt has been made to include all important topics in physical chemistry together with borderline subjects which are of particular interest and importance. The book begins by discussing the basic principles of reaction rates in solution. This is followed by separate chapters on estimating the rate parameters of elementary reactions; the use of correlation diagrams to interpret organic reactions; perturbation of reaction rates by substituents; and inorganic reactions. Subsequent chapters cover the important field of free radicals, including chain reactions and solvent effects; heterogeneous catalysis; various types of surface reactions; surface annealing; electron reactions; nucleation; and radiation chemistry. The book presents a broad picture of current developments in reaction rates in condensed phases in a form accessible to all students of chemical kinetics. This treatment, by experts in widely different areas, will hopefully meet many student needs and provide a useful overview for all.
Download or read book Non Linear Optical Properties of Matter written by Manthos G. Papadopoulos and published by Springer Science & Business Media. This book was released on 2007-05-03 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book assembles both theory and application in this field, to interest experimentalists and theoreticians alike. Part 1 is concerned with the theory and computing of non-linear optical (NLO) properties while Part 2 reviews the latest developments in experimentation. This book will be invaluable to researchers and students in academia and industry, particularlrly to anyone involved in materials science, theoretical and computational chemistry, chemical physics, and molecular physics.
Download or read book Advances in Chemical Physics Volume 53 written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Download or read book Condensed Phase Molecular Spectroscopy and Photophysics written by Anne Myers Kelley and published by John Wiley & Sons. This book was released on 2012-11-15 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to one of the fundamental tools in chemical research—spectroscopy and photophysics in condensed-phase and extended systems A great deal of modern research in chemistry and materials science involves the interaction of radiation with condensed-phase systems such as molecules in liquids and solids as well as molecules in more complex media, molecular aggregates, metals, semiconductors, and composites. Condensed-Phase Molecular Spectroscopy and Photophysics was developed to fill the need for a textbook that introduces the basics of traditional molecular spectroscopy with a strong emphasis on condensed-phase systems. It also examines optical processes in extended systems such as metals, semiconductors, and conducting polymers, and addresses the unique optical properties of nanoscale systems. Condensed-Phase Molecular Spectroscopy and Photophysics begins with an introduction to quantum mechanics that sets a solid foundation for understanding the text's subsequent topics, including: Electromagnetic radiation and radiation-matter interactions Molecular vibrations and infrared spectroscopy Electronic spectroscopy Photophysical processes and light scattering Nonlinear and pump-probe spectroscopies Electron transfer processes Each chapter contains problems ranging from simple to complex, enabling readers to gradually build their skills and problem-solving abilities. Written for upper-level undergraduate and graduate courses in physical and materials chemistry, this text is uniquely designed to equip readers to solve a broad array of current problems and challenges in chemistry.
Download or read book Molecular Kinetics in Condensed Phases written by Ron Elber and published by John Wiley & Sons. This book was released on 2019-12-06 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Trends in Chemical Physics Research written by A. N. Linke and published by Nova Publishers. This book was released on 2006 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical physics and physical chemistry are closely related fields of study. Together they are distinguished from other disciplines by the incredible range of problems addressed by their practitioners. An effective physical chemist or chemical physicist is a "jack-of-all-trades," able to apply the principles and techniques of the field to everything from high-tech materials to biology. Just as the fields of chemistry and physics have expanded, so have chemical physics subject areas, which include polymers, materials, surfaces/interfaces, and biological macromolecules, along with the traditional small molecule and condensed phase systems. This new book gathers research from around the world presenting important new developments.
Download or read book Chemical Reaction in Condensed Phase written by Gennadiĭ Efremovich Zaikov and published by Nova Publishers. This book was released on 2006 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Reactions in Condensed Phase - The Quantitative Level
Download or read book The International Encyclopedia of Physical Chemistry and Chemical Physics written by and published by . This book was released on 1960 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Reactions and Their Control on the Femtosecond Time Scale written by Pierre Gaspard and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 984 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Universite 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 Universite Libre de Bruxelles, Belgium, on the application of new semiclassical techniques to elementary chemical reaction processes.
Download or read book Chemical Physics written by A. N. Linke and published by Nova Publishers. This book was released on 2006 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical physics and physical chemistry are closely related fields of study. Together they are distinguished from other disciplines by the incredible range of problems addressed by their practitioners. An effective physical chemist or chemical physicist is a "jack-of-all-trades", able to apply the principles and techniques of the field to everything from high-tech materials to biology. Just as the fields of chemistry and physics have expanded, so have chemical physics subject areas, which include polymers, materials, surfaces/interfaces, and biological macromolecules, along with the traditional small molecule and condensed phase systems. This book gathers research from around the world presenting important new developments.
Download or read book Chemical Physics Research Trends written by Samuel V. Arnold and published by Nova Publishers. This book was released on 2007 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical physics and physical chemistry are closely related fields of study. Together they are distinguished from other disciplines by the incredible range of problems addressed by their practitioners. An effective physical chemist or chemical physicist is a "jack-of-all-trades", able to apply the principles and techniques of the field to everything from high-tech materials to biology. Just as the fields of chemistry and physics have expanded, so have chemical physics subject areas, which include polymers, materials, surfaces/interfaces, and biological macromolecules, along with the traditional small molecule and condensed phase systems. This book gathers important research from around the world.
Download or read book Classical And Quantum Dynamics In Condensed Phase Simulations Proceedings Of The International School Of Physics written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 881 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.
Download or read book Many body Theory of Molecules Clusters and Condensed Phases written by Norman Henry March and published by World Scientific. This book was released on 2010 with total page 913 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive review of seminal as well as recent results in the theory of condensed phases, including liquid metals, quantum liquids and Wigner crystals, along with selected applications, especially in the physical chemistry of molecules and clusters. A large part of this work is dedicated to The Thomasndash;Fermi semiclassical approximation for molecules and condensed phases, and its extension to inhomogeneous electron liquids and liquid metals. Correlation effects in quantum liquids and Wigner crystallization are other areas of focus of this work, with an emphasis towards the effect of low dimensionality and magnetic fields. The volume is a collection of reprints by N H March and collaborators over five decades.