Molecular Structure And Statistical Thermodynamics
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Molecular Structure And Statistical Thermodynamics
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Author : Kenneth S. Pitzer
language : en
Publisher: World Scientific
Release Date : 1993
Molecular Structure And Statistical Thermodynamics written by Kenneth S. Pitzer and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993 with Science categories.
In the course of his distinguished career of over 55 years, Kenneth S Pitzer published over 360 scientific papers. Included in this volume are 72 papers, selected for their historical importance and continuing significance. In early work, where spectroscopic data were incomplete or, later on, where the systems of interest were so complex that a deductive solution from molecular information was impractical, Pitzer interrelated molecular structural information, statistical methods and thermodynamic measurements to advance the understanding of molecular systems. This volume considers all three aspects and, by putting together selected papers, highlights the cohesiveness of certain advances through time and development. Several papers from journals not widely circulated can also be found in this selection of papers.
An Introduction To Statistical Thermodynamics
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Author : Terrell L. Hill
language : en
Publisher: Courier Corporation
Release Date : 2012-06-08
An Introduction To Statistical Thermodynamics written by Terrell L. Hill and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-06-08 with Science categories.
Four-part treatment covers principles of quantum statistical mechanics, systems composed of independent molecules or other independent subsystems, and systems of interacting molecules, concluding with a consideration of quantum statistics.
An Introduction To Applied Statistical Thermodynamics
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Author : Stanley I. Sandler
language : en
Publisher: John Wiley & Sons
Release Date : 2010-11-16
An Introduction To Applied Statistical Thermodynamics written by Stanley I. Sandler 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 2010-11-16 with Science categories.
With the present emphasis on nano and bio technologies, molecular level descriptions and understandings offered by statistical mechanics are of increasing interest and importance. This text emphasizes how statistical thermodynamics is and can be used by chemical engineers and physical chemists. The text shows readers the path from molecular level approximations to the applied, macroscopic thermodynamic models engineers use, and introduces them to molecular-level computer simulation. Readers of this book will develop an appreciation for the beauty and utility of statistical mechanics.
Molecular Structure
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Author : Norman L. Allinger
language : en
Publisher: John Wiley & Sons
Release Date : 2010-12-15
Molecular Structure written by Norman L. Allinger 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 2010-12-15 with Science categories.
A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Statistical Thermodynamics Of Nonequilibrium Processes
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Author : Joel Keizer
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Statistical Thermodynamics Of Nonequilibrium Processes written by Joel Keizer 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 2012-12-06 with Science categories.
The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and limited in validity to a neighborhood of equilibrium. In recent years it has been possible to extend the statistical theory of nonequilibrium processes to include nonlinear effects. The modern theory, as expounded in this book, is applicable to a wide variety of systems both close to and far from equilibrium. The theory is based on the notion of elementary molecular processes, which manifest themselves as random changes in the extensive variables characterizing a system. The theory has a hierarchical character and, thus, can be applied at various levels of molecular detail.
Introduction To Statistical Thermodynamics
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Author : Marcus Elstner
language : en
Publisher: Springer Nature
Release Date : 2024-05-09
Introduction To Statistical Thermodynamics written by Marcus Elstner and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-05-09 with Science categories.
This textbook presents the fundamentals of statistical thermodynamics and electronic structure theory and focuses on introducing the central concepts of thermodynamics and their relation to microscopic theories in a conceptually clear and simple way. The emphasis is on the description of what is going on at the microscopic level, which allows readers to understand the various facets of entropy as the fundamental driving force of all material behaviors. An atomistic perspective is introduced from the beginning, highlighting the importance of molecular structure and microscopic degrees of freedom for understanding the thermodynamic properties of materials, such as heat capacity and magnetization. Because of their importance in various research fields, classical and quantum aspects are treated equally, allowing modern research topics to be addressed with molecular simulation and electronic structure theory. It is a valuable resource for undergraduate and graduate students in chemistry,physics, and materials science, and its modular structure makes it suitable for any reader.
Molecular Driving Forces
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Author : Ken Dill
language : en
Publisher: Garland Science
Release Date : 2010-10-21
Molecular Driving Forces written by Ken Dill and has been published by Garland Science this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-10-21 with Science categories.
Molecular Driving Forces, Second Edition E-book is an introductory statistical thermodynamics text that describes the principles and forces that drive chemical and biological processes. It demonstrates how the complex behaviors of molecules can result from a few simple physical processes, and how simple models provide surprisingly accurate insights into the workings of the molecular world. Widely adopted in its First Edition, Molecular Driving Forces is regarded by teachers and students as an accessible textbook that illuminates underlying principles and concepts. The Second Edition includes two brand new chapters: (1) "Microscopic Dynamics" introduces single molecule experiments; and (2) "Molecular Machines" considers how nanoscale machines and engines work. "The Logic of Thermodynamics" has been expanded to its own chapter and now covers heat, work, processes, pathways, and cycles. New practical applications, examples, and end-of-chapter questions are integrated throughout the revised and updated text, exploring topics in biology, environmental and energy science, and nanotechnology. Written in a clear and reader-friendly style, the book provides an excellent introduction to the subject for novices while remaining a valuable resource for experts.
Fundamentals And Practice In Statistical Thermodynamics
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Author : Jianzhong Wu
language : en
Publisher: John Wiley & Sons
Release Date : 2024-08-20
Fundamentals And Practice In Statistical Thermodynamics written by Jianzhong Wu 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 2024-08-20 with Technology & Engineering categories.
Bridge the gap between thermodynamic theory and engineering practice with this essential textbook Thermodynamics is a discipline which straddles the fields of chemistry, physics, and engineering, and has long been a mainstay of undergraduate and graduate curricula. Conventional thermodynamics courses, however, often ignore modern developments in statistical mechanics, such as molecular simulation methods, cooperative phenomena, phase transitions, universality, as well as liquid-state and polymer theories, despite their close relevance to both fundamental research and engineering practice. Fundamentals and Practice in Statistical Thermodynamics fills this gap with an essential book that applies up-to-date statistical-mechanical techniques to address the most crucial thermodynamics problems found in chemical and materials systems. It is ideally suited to introduce a new generation of researchers and molecular engineers to modern thermodynamic topics with numerous cutting-edge applications. From Fundamentals and Practice in Statistical Thermodynamics readers will also find: An introduction to statistical-mechanical methods including molecular dynamics simulation, Monte Carlo simulation, as well as the molecular theories of phase transitions, classical fluids, electrolyte solutions, polymeric materials, and more Illustrative examples and exercise problems with solutions to facilitate student understanding Supplementary online materials covering the basics of quantum mechanics, density functional theory, variational principles of classical mechanics, intermolecular interactions, and many more subjects Fundamentals and Practice in Statistical Thermodynamics is ideal for graduate and advanced undergraduate students in chemical engineering, biomolecular engineering, environmental engineering, materials science and engineering, and all related scientific subfields of physics and chemistry.
Statistical Thermodynamics
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Author : John W. Daily
language : en
Publisher: Cambridge University Press
Release Date : 2018-12-20
Statistical Thermodynamics written by John W. Daily 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 2018-12-20 with Mathematics categories.
Clearly connects macroscopic and microscopic thermodynamics and explains non-equilibrium behavior in kinetic theory and chemical kinetics.
Statistical Mechanics Theory And Molecular Simulation
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Author : Mark Tuckerman
language : en
Publisher: OUP Oxford
Release Date : 2010-02-11
Statistical Mechanics Theory And Molecular Simulation written by Mark Tuckerman and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-02-11 with Science categories.
Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.