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Author: Jochen Autschbach
Publisher: Oxford University Press, USA
ISBN: 0190920807
Category : Science
Languages : en
Pages : 756
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Book Description
"Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn. It is true that quantum mechanics is a mathematical theory. Its scope, its predictions, the wisdom we gain from its results, all these become fully clear only in the context of the relevant equations and calculations. But the study of quantum mechanics is definitely worth the effort, and - as I like to tell my students- it is not rocket science"--
Author: Jochen Autschbach
Publisher: Oxford University Press, USA
ISBN: 0190920807
Category : Science
Languages : en
Pages : 756
Get Book Here
Book Description
"Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn. It is true that quantum mechanics is a mathematical theory. Its scope, its predictions, the wisdom we gain from its results, all these become fully clear only in the context of the relevant equations and calculations. But the study of quantum mechanics is definitely worth the effort, and - as I like to tell my students- it is not rocket science"--
Author: Linus Pauling
Publisher: Courier Corporation
ISBN: 0486134938
Category : Science
Languages : en
Pages : 500
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Book Description
Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.
Author: David O. Hayward
Publisher: Royal Society of Chemistry
ISBN: 9780854046072
Category : Education
Languages : en
Pages : 196
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Book Description
This book is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics.
Author: Tamás Veszprémi
Publisher: Springer Science & Business Media
ISBN: 1461541891
Category : Science
Languages : en
Pages : 381
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Book Description
`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.
Author: George C. Schatz
Publisher: Courier Corporation
ISBN: 0486136728
Category : Science
Languages : en
Pages : 386
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Book Description
Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.
Author: V.P. Gupta
Publisher: Academic Press
ISBN: 0128035013
Category : Science
Languages : en
Pages : 480
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Book Description
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools
Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 484
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Book Description
This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Author: Jack Simons
Publisher: Oxford University Press on Demand
ISBN: 9780195082005
Category : History
Languages : en
Pages : 612
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Book Description
Written for beginning graduate students and advanced undergraduates in all areas of chemistry, this text offers great flexibility. It is unique in that it combines both introductory and modern quantum chemistry in a single book. The introductory material is covered in less detail, allowing the instructor to extend the coverage into areas of greater importance, including introductions to molecular spectroscopy and chemical dynamics and a very thorough group of chapters on computational chemistry as applied to electronic structures. A large number of exercises, problems, and solutions, and a disk of text-related computer programs are also included, further enhancing the utility value of the text.
Author: AUTSCHBACH.
Publisher:
ISBN: 9780197508350
Category :
Languages : en
Pages :
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Book Description
Author: David V. George
Publisher: Elsevier
ISBN: 1483278557
Category : Science
Languages : en
Pages : 284
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Book Description
Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems. This book describes chemical bonding and its two specific problems — bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum chemistry; symmetry in chemistry; and molecular-orbital theory are also covered. This publication is recommended for students taking undergraduate and graduate courses in quantum chemistry.
