Quantum Chemistry


Author: Donald Allan McQuarrie
Publisher: University Science Books
ISBN: 9781891389504
Category: Science
Page: 690
View: 7483
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One of the best-selling Quantum Chemistry textbooks in the US.

Mathematics for Physical Chemistry


Author: Donald Allan McQuarrie
Publisher: University Science Books
ISBN: 9781891389566
Category: Mathematics
Page: 345
View: 2916
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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.

Quantum Chemistry: Through Problems & Solutions


Author: Prasad R K
Publisher: New Age International
ISBN: 9788122411140
Category: Quantum chemistry
Page: 388
View: 465
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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.

An Introductory Guide to Computational Methods for the Solution of Physics Problems

With Emphasis on Spectral Methods
Author: George Rawitscher,Victo dos Santos Filho,Thiago Carvalho Peixoto
Publisher: Springer
ISBN: 3319427032
Category: Science
Page: 221
View: 1659
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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.

Solutions Manual to Accompany Quantum Chemistry


Author: Donald Allan McQuarrie
Publisher: Univ Science Books
ISBN: 9780935702163
Category: Quantum chemistry
Page: 241
View: 6290
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Reviews in Computational Chemistry


Author: Kenny B. Lipkowitz,Raima Larter,Thomas R. Cundari,Donald B. Boyd
Publisher: John Wiley & Sons
ISBN: 0471466646
Category: Science
Page: 424
View: 8865
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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.

Quantum Chemistry

Fundamentals to Applications
Author: Tamás Veszprémi,Miklós Fehér
Publisher: Springer Science & Business Media
ISBN: 1461541891
Category: Science
Page: 383
View: 7549
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`Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.' From the Foreword by Paul Mezey, University of Saskatchewan. Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II. The applications include: molecular structure; spectroscopy; thermodynamics; chemical reactions; solvent effects; and excited state chemistry. The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.

Solutions to Accompany McQuarrie's Mathematical Methods for Scientists and Engineers


Author: Carole H. McQuarrie
Publisher: Univ Science Books
ISBN: 9781891389375
Category: Mathematics
Page: 264
View: 727
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A solutions manual that provides the answers to every third problem in Donald McQuarrie's original text Mathematical Methods for Scientists and Engineers.

Computational Chemistry Using the PC


Author: D. W. Rogers
Publisher: VCH Publishers
ISBN: 9781560816720
Category: Science
Page: 247
View: 4659
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Nature


Author: Sir Norman Lockyer
Publisher: N.A
ISBN: N.A
Category: Electronic journals
Page: N.A
View: 9062
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Quantenmechanik in der Chemie


Author: M.W. Hanna
Publisher: Springer-Verlag
ISBN: 3642723160
Category: Science
Page: 304
View: 4519
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Quantum Mechanics

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: 1425
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Quantum Mechanics - Based on the Principle of Minimum Mean Deviation From Statistical Equilibrium & Independence

Chemistry and Industry


Author: N.A
Publisher: N.A
ISBN: N.A
Category: Chemistry, Technical
Page: N.A
View: 2705
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Quantum Mechanics, Second edition


Author: Paul C.W. Davies,David S. Betts
Publisher: CRC Press
ISBN: 9780748744466
Category: Science
Page: 178
View: 3378
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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.

Stereochemistry and Control in Molecular Reaction Dynamics


Author: N.A
Publisher: Royal Society of Chemistry
ISBN: N.A
Category: Molecular dynamics
Page: 504
View: 2772
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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.

Courses of Study


Author: Cornell University
Publisher: N.A
ISBN: N.A
Category: Education
Page: N.A
View: 5313
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The Australian Physicist


Author: N.A
Publisher: N.A
ISBN: N.A
Category: Physicists
Page: N.A
View: 5492
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Physikalische Chemie


Author: Peter W. Atkins,Julio de Paula,Michael Bär,Anna Schleitzer,Carsten Heinisch
Publisher: John Wiley & Sons
ISBN: 3527315462
Category: Science
Page: 1220
View: 6846
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Choice


Author: N.A
Publisher: N.A
ISBN: N.A
Category: Academic libraries
Page: N.A
View: 7728
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