Top 10 recommendation quantum chemistry
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Best quantum chemistry
1. Quantum Chemistry
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Used Book in Good ConditionDescription
After twenty-four years in print, Don McQuarrie has now updated his landmark "Quantum Chemistry". Perhaps the biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie has presented step-by-step SCF calculations of a helium atom in Chapter 9 and a hydrogen molecule in Chapter 10, in addition to including an entire chapter on the Hartree-Fock method and post-Hartree-Fock methods for the calculation of molecular properties. The book also uses problems to encourage the use of an invaluable National Institute of Science and Technology (NIST) website that lists experimental data and the results of various ab initio calculations for hundreds of molecules.2. Quantum Chemistry (7th Edition)
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Used Book in Good ConditionDescription
Known for its solid presentation of mathematics, this bestseller is a rigorous but accessible introduction to both quantum chemistry and the math needed to master it. Quantum Chemistry, Seventh Edition covers quantum mechanics, atomic structure, and molecular electronic structure, and provides a thorough, unintimidating treatment of operators, differential equations, simultaneous linear equations, and other areas of required math. Practical for readers in all branches of chemistry, the new edition reflects the latest quantum chemistry research and methods of computational chemistry, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties.
3. Ideas of Quantum Chemistry
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Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.
Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestible sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. An appendix on the Internet supplements this book.
- Presents the widest range of quantum chemical problems covered in one book
- Unique structure allows material to be tailored to the specific needs of the reader
- Informal language facilitates the understanding of difficult topics
4. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Dover Books on Chemistry)
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Dover PublicationsDescription
The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules. The first three chapters contain introductory material culminating in a thorough discussion of the Hartree-Fock approximation.The remaining four chapters describe a variety of more sophisticated approaches, which improve upon this approximation.
Among the highlights of the seven chapters are (1) a review of the mathematics (mostly matrix algebra) required for the rest of the book, (2) an introduction to the basic techniques, ideas, and notations of quantum chemistry, (3) a thorough discussion of the Hartree-Fock approximation, (4) a treatment of configuration interaction (Cl) and approaches incorporating electron correlation, (5) a description of the independent electron pair approximation and a variety of more sophisticated approaches that incorporate coupling between pairs, (6) a consideration of the perturbative approach to the calculation of the correlation energy of many-electron systems and (7) a brief introduction to the use of the one-particle many-body Green's function in quantum chemistry.
Over 150 exercises, designed to help the reader acquire a working knowledge of the material, are embedded in the text. The book is largely self-contained and requires no prerequisite other than a solid undergraduate physical chemistry course; however, some exposure to quantum chemistry will enhance the student's appreciation of the material. Clear and well-written, this text is ideal for the second semester of a two-semester course in quantum chemistry, or for a special topics course.
5. Quantum Chemistry, 7/E
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Printed in Asia - Carries Same Contents as of US edition - Opt Expedited Shipping for 3 to 4 day delivery -6. Quantum Chemistry: A Unified Approach
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This book is a presentation of a qualitative theory of chemical bonding stressing the physical processes which occur on bond formation. It differs from most (if not all) other books in that it does not seek to rationalize the phenomena of bonding by a series of mnemonic rules. A principal feature is a unified and consistent treatment across all types of bonding in organic, inorganic and physical chemistry.Compared to the first edition, a new chapter on the quantum theory of polymers and solids is added. More problems and worked solutions are included. Also, minor changes and updates are also made throughout the textbook to facilitate enhanced understanding.7. Principles and Applications of Quantum Chemistry
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Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the authors 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
8. Problems and Solutions for Mcquarrie's Quantum Chemistry
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Used Book in Good ConditionDescription
This Solutions Manual accompanies the second edition of Donald McQuarrie s Quantum Chemistry. It contains each of the more than 700 problems in the text, followed by a detailed solution. Written by chemistry faculty members Helen O. Leung and Mark D. Marshall, both of Amherst College, in conjunction with Prof. McQuarrie, each solution combines the clarity the authors use in teaching the same material in their own classrooms with the rigor appropriate to learning and appreciating an introduction to quantum chemistry. Both Helen Leung and Mark Marshall are recipients of the Henry Dreyfus Teacher-Scholar Award. They bring to the manual the insight gained from years of using quantum mechanics as spectroscopists with active research programs along with strong, effective pedagogy.9. Quantum Chemistry and Spectroscopy (3rd Edition)
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Used Book in Good ConditionDescription
Engel and Reids Quantum Chemistry & Spectroscopy gives students a contemporary and accurate overview of physical chemistry while focusing on basic principles that unite the sub-disciplines of the field. The Third Edition continues to emphasize fundamental concepts and presents cutting-edge research developments that demonstrate the vibrancy of physical chemistry today.10. Physical Chemistry: Quantum Chemistry and Spectroscopy (4th Edition) (What's New in Chemistry)
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For courses in Quantum Chemistry.
A visual, conceptual and contemporary approach to Physical Chemistry
Engel and Reids Quantum Chemistry & Spectroscopy provides a contemporary, conceptual, and visual introduction to physical chemistry. The authors emphasize the vibrancy of physical chemistry today and illustrate its relevance to the world around us, using modern applications drawn from biology, environmental science, and material science. The 4th Edition provides visual summaries of important concepts and connections in each chapter, offers students just-in-time math help, and expands content to cover science relevant to physical chemistry. Tutorials in Mastering Chemistry reinforce students understanding of complex theory in Quantum Chemistry and Thermodynamics as they build problem-solving skills throughout the course.
Also available with Mastering Chemistry
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Note: You are purchasing a standalone product; Mastering Chemistry does not come packaged with this content. Students, if interested in purchasing this title with Mastering Chemistry, ask your instructor for the correct package ISBN and Course ID. Instructors, contact your Pearson representative for more information.
If you would like to purchase both the physical text and Mastering Chemistry, search for:
0134813081 / 9780134813080 Physical Chemistry: Quantum Chemistry and Spectroscopy Plus MasteringChemistry with Pearson eText -- Access Card Package, 4/e
Package consists of:
- 0134746880 / 9780134746883 Mastering Chemistry
- 0134804597 / 9780134804590 Physical Chemistry: Quantum Chemistry and Spectroscopy
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