Author: Donald Allan McQuarrie

Publisher: University Science Books

ISBN: 9781891389504

Category: Science

Page: 690

View: 1129

One of the best-selling Quantum Chemistry textbooks in the US.
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Author: Prasad R K

Publisher: New Age International

ISBN: 9788122411140

Category: Quantum chemistry

Page: 388

View: 8120

This Book Supplements The Author'S Text On Quantum Chemistry. It Helps, Through Exercises, Illustrations And Numerical Examples, In Clearer Understanding Of The Subject And Development Of The Proper Kind Of Intuition. The Collection Of Problems For Which Solutions Are Also Provided, It Is Believed, Is Unique. There Is A Wider Range Of Applications In Each Chapter Than Can Be Found In Any Text. Each Chapter Begins With A Brief Introduction And Is Followed By Problems Of Increasing Difficulty. Besides A Number Of More Or Less Standard Problems, Some Standard Topics, E.G. Harmonic Oscillator, Have Been Presented In The Problem-And-Answer Format. The Book Is A Self Educator For Those Undergoing Courses In Quantum Chemistry And A Lever For Those Desirous Of Taking Up Research In The Subtle Areas Of Fundamental Chemistry.
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Author: Donald Allan McQuarrie

Publisher: University Science Books

ISBN: 9781891389566

Category: Mathematics

Page: 345

View: 9900

Provides students with concise reviews of mathematical topics used in physical chemistry. By reading these reviews before the mathematics is applied to physical chemical problems, a student will spend less time worrying about the math and more time learning the physical chemistry.
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With Emphasis on Spectral Methods

Author: George Rawitscher,Victo dos Santos Filho,Thiago Carvalho Peixoto

Publisher: Springer

ISBN: 3319427032

Category: Science

Page: 221

View: 6450

This monograph presents fundamental aspects of modern spectral and other computational methods, which are not generally taught in traditional courses. It emphasizes concepts as errors, convergence, stability, order and efficiency applied to the solution of physical problems. The spectral methods consist in expanding the function to be calculated into a set of appropriate basis functions (generally orthogonal polynomials) and the respective expansion coefficients are obtained via collocation equations. The main advantage of these methods is that they simultaneously take into account all available information, rather only the information available at a limited number of mesh points. They require more complicated matrix equations than those obtained in finite difference methods. However, the elegance, speed, and accuracy of the spectral methods more than compensates for any such drawbacks. During the course of the monograph, the authors examine the usually rapid convergence of the spectral expansions and the improved accuracy that results when nonequispaced support points are used, in contrast to the equispaced points used in finite difference methods. In particular, they demonstrate the enhanced accuracy obtained in the solutionof integral equations. The monograph includes an informative introduction to old and new computational methods with numerous practical examples, while at the same time pointing out the errors that each of the available algorithms introduces into the specific solution. It is a valuable resource for undergraduate students as an introduction to the field and for graduate students wishing to compare the available computational methods. In addition, the work develops the criteria required for students to select the most suitable method to solve the particular scientific problem that they are confronting.
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Author: Kenny B. Lipkowitz,Raima Larter,Thomas R. Cundari,Donald B. Boyd

Publisher: John Wiley & Sons

ISBN: 0471466646

Category: Science

Page: 424

View: 3466

The Reviews in Computational Chemistry series bringstogether leading authorities in the field. The chapters in thisbook series are written to teach the newcomer and update theexpert. Topics include computational chemistry, molecular modeling,computer-assisted molecular design (CAMD), quantum chemistry,molecular mechanics and dynamics, and quantitativestructure-activity relationships (QSAR). Detailed author and subject indices on each volume help thereader to quickly discover particular topics. The chapters are approached in a tutorial manner and written ina non-mathematical style allowing students and researchers toaccess computational methods outside their immediate area ofexpertise.
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Author: Jerzy Leszczynski

Publisher: Springer Science & Business Media

ISBN: 940070710X

Category: Computers

Page: 1427

View: 3701

This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.
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Author: Paul C.W. Davies,David S. Betts

Publisher: CRC Press

ISBN: 9780748744466

Category: Science

Page: 178

View: 3834

Quantum mechanics is the key to modern physics and chemistry, yet it is notoriously difficult to understand. This book is designed to overcome that obstacle. Clear and concise, it provides an easily readable introduction intended for science undergraduates with no previous knowledge of quantum theory, leading them through to the advanced topics usually encountered at the final year level. Although the subject matter is standard, novel techniques have been employed that considerably simplify the technical presentation. The authors use their extensive experience of teaching and popularizing science to explain the many difficult, abstract points of the subject in easily comprehensible language. Helpful examples and thorough sets of exercises are also given to enable students to master the subject.
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Author: Donald Allan McQuarrie,Peter A. Rock,Ethan B. Gallogly

Publisher: Univ Science Books

ISBN: 9781891389603

Category: Science

Page: 1116

View: 5334

"Atoms First seems to be the flavor of the year in chemistry textbooks, but many of them seem to be little more than rearrangement of the chapters. It takes a master like McQuarrie to go back to the drawing board and create a logical development from smallest to largest that makes sense to students."---Hal Harris, University of Missouri-St. Louis "McQuarrie's book is extremely well written, the order of topics is logical, and it does a great job with both introductory material and more advanced concepts. Students of all skill levels will be able to learn from this book."---Mark Kearley, Florida State University This new fourth edition of General Chemistry takes an atoms-first approach from beginning to end. In the tradition of McQuarrie's many previous works, it promises to be another ground-breaking text. This superb new book combines the clear writing and wonderful problems that have made McQuarrie famous among chemistry professors and students worldwide. Presented in an elegant design with all-new illustrations, it is available in a soft-cover edition to offer professors a fresh choice at an outstanding value. Student supplements include an online series of descriptive chemistry Interchapters, a Student Solutions Manual, and an optional state-of-the-art Online Homework program. For adopting professors, an Instructor's Manual and a CD of the art are also available.
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Author: Donald Rogers

Publisher: Wiley-VCH

ISBN: 9780895737700

Category: Science

Page: 224

View: 393

Computational Chemistry Using the PC, Third Edition takes the reader from a basic mathematical foundation to beginning research-level calculations, avoiding expensive or elaborate software in favor of PC applications. Geared towards an advanced undergraduate or introductory graduate course, this Third Edition has revised and expanded coverage of molecular mechanics, molecular orbital theory, molecular quantum chemistry, and semi-empirical and ab initio molecular orbital approaches. With significant changes made to adjust for improved technology and increased computer literacy, Computational Chemistry Using the PC, Third Edition gives its readers the tools they need to translate theoretical principles into real computational problems, then proceed to a computed solution. Students of computational chemistry, as well as professionals interested in updating their skills in this fast-moving field, will find this book to be an invaluable resource.
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Author: Steven Holzner

Publisher: John Wiley & Sons

ISBN: 3527668004

Category: Science

Page: 316

View: 4159

Von den Grundlagen bis zur Streutheorie – das Wichtigste zur Quantenmechanik Die Quantenphysik ist ein zentrales und spannendes, wenn auch von vielen Schülern und Studenten ungeliebtes Thema der Physik. Aber keine Sorge! Steven Holzner erklärt Ihnen verständlich und lebendig, was Sie über Quantenphysik wissen müssen. Er erläutert die Grundlagen von Drehimpuls und Spin, gibt Ihnen Tipps, wie Sie komplexe Gleichungen lösen und nimmt den klassischen Problemen der Quantenphysik den Schrecken. Dabei arbeitet er mit Beispielen, die er ausführlich erklärt und gibt Ihnen so zusätzliche Sicherheit auf einem vor Unschärfen wimmelnden Feld.
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Based on the Principle of Minimum Mean Deviation from Statistical Equilibrium and Independence

Author: Silviu Guiasu

Publisher: Huntington, N.Y. : Nova Science Publishers

ISBN: N.A

Category: Science

Page: 313

View: 4482

Quantum Mechanics - Based on the Principle of Minimum Mean Deviation From Statistical Equilibrium & Independence
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Author: Sir Norman Lockyer

Publisher: N.A

ISBN: N.A

Category: Electronic journals

Page: N.A

View: 1494

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Author: Donald Allan McQuarrie,John Douglas Simon

Publisher: Sterling Publishing Company

ISBN: 9781891389054

Category: Science

Page: 656

View: 935

Evolved from McQuarrie and Simon's best-selling Physical Chemistry: A Molecular Approach, this text follows a similar path by first covering the principles of quantum mechanics before engaging those ideas in the subsequent development of thermodynamics.
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Author: N.A

Publisher: Royal Society of Chemistry

ISBN: N.A

Category: Molecular dynamics

Page: 504

View: 6837

The stereochemistry of elementary reactions is discussed and the following areas are covered in experimental and theoretical papers: Frequency and time resolved studies of molecular photodissociation or photoinitiated processes, control of reactivity via collision energy, selective vibration of reagents, or reagent alignment and demonstrations of active or coherent control of chemical processes. Faraday Discussions documents a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.
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Author: Cornell University

Publisher: N.A

ISBN: N.A

Category: Education

Page: N.A

View: 7655

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Author: Lesser Blum,F. B. Malik

Publisher: Plenum Publishing Corporation

ISBN: N.A

Category: Science

Page: 684

View: 7520

Proceedings of the Sixteenth International Workshop held in San Juan, Puerto Rico in June 1992. Papers are divided into a broad range of topics: solid state physics, superconductivity, quantum fluids, nuclear physics, atoms and molecules, classical fluids, polymers, plasmas, lattice theories, phase
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