The Potential Distribution Theorem And Models Of Molecular Solutions
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The Potential Distribution Theorem And Models Of Molecular Solutions
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Author : Tom L. Beck
language : en
Publisher: Cambridge University Press
Release Date : 2006-08-31
The Potential Distribution Theorem And Models Of Molecular Solutions written by Tom L. Beck 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 2006-08-31 with Technology & Engineering categories.
An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides a discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical theories that permit statistical thermodynamic properties to be studied on the basis of electronic structure calculations are given extended development, as is the testing of those theoretical results with ab initio molecular dynamics simulations. The book is intended for students taking up research problems of molecular science in chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology and biotechnology.
The Potential Distribution Theorem And Models Of Molecular Solutions
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Author : Tom L. Beck
language : en
Publisher:
Release Date : 2006
The Potential Distribution Theorem And Models Of Molecular Solutions written by Tom L. Beck and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006 with Molecular theory categories.
This book was first published in 2006. An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides a discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical.
The Potential Distribution Theorem And Models Of Molecular Solutions
DOWNLOAD
Author : Tom L. Beck
language : en
Publisher:
Release Date : 2006
The Potential Distribution Theorem And Models Of Molecular Solutions written by Tom L. Beck and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006 with Molecular theory categories.
This book was first published in 2006. An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides a discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical.
Free Energy Calculations
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Author : Christophe Chipot
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-01-08
Free Energy Calculations written by Christophe Chipot 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 2007-01-08 with Language Arts & Disciplines categories.
Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Annual Reports In Computational Chemistry
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Author : Ralph A. Wheeler
language : en
Publisher: Newnes
Release Date : 2012-10-16
Annual Reports In Computational Chemistry written by Ralph A. Wheeler and has been published by Newnes this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-10-16 with Science categories.
Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists
Statistical Mechanics Theory And Molecular Simulation
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Author : Mark E. Tuckerman
language : en
Publisher: Oxford University Press
Release Date : 2023
Statistical Mechanics Theory And Molecular Simulation written by Mark E. Tuckerman and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023 with Statistical mechanics categories.
"Complex problems that cross traditional disciplinary lines between physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computing platforms. The tools of statistical mechanics provide the bridge between the atomistic descriptions of these complex systems and the macroscopic observables accessible to experimental investigations and predictable in computer simulations. The aim of this book is to prepare burgeoning users and developers to become active researchers in the theoretical and computational molecular sciences by uniting, in one monograph, the theoretical underpinnings of equilibrium and time-dependent classical and quantum statistical mechanics with modern computational techniques used to put these concepts into practice to address real-world applications. The book contains detailed reviews of classical and quantum mechanics and in-depth discussions of the most commonly used statistical ensembles side by side with modern computational methods such as molecular dynamics, Monte Carlo, advanced configurational and trajectory sampling approaches, free-energy based rare-event sampling approaches, Feynman path integral techniques, linear response theory and time correlation functions, stochastic methods, critical phenomena, and an introduction to machine learning and its uses in statistical mechanics. Readers of this book will be provided, in a pedagogical manner, with a firm foundation in both the theory and practical implementation of statistical mechanical concepts, thus allowing them to approach application technology with an understanding of the underlying algorithms and to become, themselves, creators of new and powerful approaches for solving challenging research problems"--
Liquid State Physical Chemistry
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Author : Gijsbertus de With
language : en
Publisher: John Wiley & Sons
Release Date : 2013-07-15
Liquid State Physical Chemistry written by Gijsbertus de With and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-07-15 with Science categories.
For many processes and applications in science and technology a basic knowledge of liquids and solutions is a must. Gaining a better understanding of the behavior and properties of pure liquids and solutions will help to improve many processes and to advance research in many different areas. This book provides a comprehensive, self-contained and integrated survey of this topic and is a must-have for many chemists, chemical engineers and material scientists, ranging from newcomers in the field to more experienced researchers. The author offers a clear, well-structured didactic approach and provides an overview of the most important types of liquids and solutions. Special topics include chemical reactions, surfaces and phase transitions. Suitable both for introductory as well as intermediate level as more advanced parts are clearly marked. Includes also problems and solutions.
Stochastic Models Information Theory And Lie Groups Volume 2
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Author : Gregory S. Chirikjian
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-11-16
Stochastic Models Information Theory And Lie Groups Volume 2 written by Gregory S. Chirikjian 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 2011-11-16 with Mathematics categories.
This unique two-volume set presents the subjects of stochastic processes, information theory, and Lie groups in a unified setting, thereby building bridges between fields that are rarely studied by the same people. Unlike the many excellent formal treatments available for each of these subjects individually, the emphasis in both of these volumes is on the use of stochastic, geometric, and group-theoretic concepts in the modeling of physical phenomena. Stochastic Models, Information Theory, and Lie Groups will be of interest to advanced undergraduate and graduate students, researchers, and practitioners working in applied mathematics, the physical sciences, and engineering. Extensive exercises, motivating examples, and real-world applications make the work suitable as a textbook for use in courses that emphasize applied stochastic processes or differential geometry.
Organic Electronics
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Author : Stephen R. Forrest
language : en
Publisher: Oxford University Press, USA
Release Date : 2020
Organic Electronics written by Stephen R. Forrest and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020 with Science categories.
This textbook provides a basic understanding of the principles of the field of organic electronics through to their applications in organic devices. Useful for the student and practitioner, it is both a teaching text and a resource that is a jumping-off point for learning, working and innovating in this rapidly growing field.--Provided by publisher.
Molecular Theory Of Capillarity
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Author : J. S. Rowlinson
language : en
Publisher: Courier Corporation
Release Date : 2013-04-26
Molecular Theory Of Capillarity written by J. S. Rowlinson and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-26 with Science categories.
History of surface phenomena offers critical and detailed examination and assessment of modern theories, focusing on statistical mechanics and application of results in mean-field approximation to model systems. 1989 edition.