Introduction to Computational Physical Chemistry PDF Download
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Author: Joshua Schrier
Publisher: University Science Books
ISBN: 9781938787904
Category : Science
Languages : en
Pages : 0
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Book Description
This book will revolutionize the way physical chemistry is taught by bridging the gap between the traditional "solve a bunch of equations for a very simple model" approach and the computational methods that are used to solve research problems. While some recent textbooks include exercises using pre-packaged Hartree-Fock/DFT calculations, this is largely limited to giving students a proverbial black box. The DIY (do-it-yourself) approach taken in this book helps student gain understanding by building their own simulations from scratch. The reader of this book should come away with the ability to apply and adapt these techniques in computational chemistry to his or her own research problems, and have an enhanced ability to critically evaluate other computational results. This book is mainly intended to be used in conjunction with an existing physical chemistry text, but it is also well suited as a stand-alone text for upper level undergraduate or intro graduate computational chemistry courses.
Author: Joshua Schrier
Publisher: University Science Books
ISBN: 9781938787904
Category : Science
Languages : en
Pages : 0
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Book Description
This book will revolutionize the way physical chemistry is taught by bridging the gap between the traditional "solve a bunch of equations for a very simple model" approach and the computational methods that are used to solve research problems. While some recent textbooks include exercises using pre-packaged Hartree-Fock/DFT calculations, this is largely limited to giving students a proverbial black box. The DIY (do-it-yourself) approach taken in this book helps student gain understanding by building their own simulations from scratch. The reader of this book should come away with the ability to apply and adapt these techniques in computational chemistry to his or her own research problems, and have an enhanced ability to critically evaluate other computational results. This book is mainly intended to be used in conjunction with an existing physical chemistry text, but it is also well suited as a stand-alone text for upper level undergraduate or intro graduate computational chemistry courses.
Author: Raymond Chang
Publisher: University Science Books
ISBN: 9781891389337
Category : Science
Languages : en
Pages : 706
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Book Description
This book is ideal for use in a one-semester introductory course in physical chemistry for students of life sciences. The author's aim is to emphasize the understanding of physical concepts rather than focus on precise mathematical development or on actual experimental details. Subsequently, only basic skills of differential and integral calculus are required for understanding the equations. The end-of-chapter problems have both physiochemical and biological applications.
Author: Johannes Karl Fink
Publisher: Springer Science & Business Media
ISBN: 3642010148
Category : Science
Languages : en
Pages : 588
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Book Description
"Physical Chemistry in Depth" is not a stand-alone text, but complements the text of any standard textbook on "Physical Chemistry" into depth having in mind to provide profound understanding of some of the topics presented in these textbooks. Standard textbooks in Physical Chemistry start with thermodynamics, deal with kinetics, structure of matter, etc. The "Physical Chemistry in Depth" follows this adjustment, but adds chapters that are treated traditionally in ordinary textbooks inadequately, e.g., general scaling laws, the graphlike structure of matter, and cross connections between the individual disciplines of Physical Chemistry. Admittedly, the text is loaded with some mathematics, which is a prerequisite to thoroughly understand the topics presented here. However, the mathematics needed is explained at a really low level so that no additional mathematical textbook is needed.
Author: Ken Dill
Publisher: Garland Science
ISBN: 1136672982
Category : Science
Languages : en
Pages : 845
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Book Description
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.
Author: Donald A. McQuarrie
Publisher: Sterling Publishing Company
ISBN: 9780935702996
Category : Science
Languages : en
Pages : 1396
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Book Description
Emphasizes a molecular approach to physical chemistry, discussing principles of quantum mechanics first and then using those ideas in development of thermodynamics and kinetics. Chapters on quantum subjects are interspersed with ten math chapters reviewing mathematical topics used in subsequent chapters. Includes material on current physical chemical research, with chapters on computational quantum chemistry, group theory, NMR spectroscopy, and lasers. Units and symbols used in the text follow IUPAC recommendations. Includes exercises. Annotation copyrighted by Book News, Inc., Portland, OR
Author: Rodney J. Sime
Publisher: Harcourt Brace College Publishers
ISBN:
Category : Science
Languages : en
Pages : 840
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Book Description
Author: John N. Coupland
Publisher: Springer
ISBN: 1493907611
Category : Technology & Engineering
Languages : en
Pages : 182
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Book Description
Familiar combinations of ingredients and processing make the structures that give food its properties. For example in ice cream, the emulsifiers and proteins stabilize partly crystalline milk fat as an emulsion, freezing (crystallization) of some of the water gives the product its hardness and polysaccharide stabilizers keep it smooth. Why different recipes work as they do is largely governed by the rules of physical chemistry. This textbook introduces the physical chemistry essential to understanding the behavior of foods. Starting with the simplest model of molecules attracting and repelling one another while being moved by the randomizing effect of heat, the laws of thermodynamics are used to derive important properties of foods such as flavor binding and water activity. Most foods contain multiple phases and the same molecular model is used to understand phase diagrams, phase separation and the properties of surfaces. The remaining chapters focus on the formation and properties of specific structures in foods – crystals, polymers, dispersions and gels. Only a basic understanding of food science is needed, and no mathematics or chemistry beyond the introductory college courses is required. At all stages, examples from the primary literature are used to illustrate the text and to highlight the practical applications of physical chemistry in food science.
Author: A. S. Negi
Publisher: New Age International
ISBN: 9780852260203
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 992
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Book Description
Written primarily to meet the requirements of students at the undergraduate level, this book aims for a self-learning approach. The fundamentals of physical chemistry have been explained with illustrations, diagrams, tables, experimental techniques and solved problems.
Author: Joachim Maier
Publisher: John Wiley & Sons
ISBN: 0470020210
Category : Science
Languages : en
Pages : 540
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Book Description
Defects play an important role in determining the properties of solids. This book provides an introduction to chemical bond, phonons, and thermodynamics; treatment of point defect formation and reaction, equilibria, mechanisms, and kinetics; kinetics chapters on solid state processes; and electrochemical techniques and applications. * Offers a coherent description of fundamental defect chemistry and the most common applications. * Up-to-date trends and developments within this field. * Combines electrochemical concepts with aspects of semiconductor physics.
Author: David S. Eisenberg
Publisher: Prentice Hall
ISBN:
Category : Science
Languages : en
Pages : 904
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Book Description
