Fundamentals Of Quantum Chemistry
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Fundamentals Of Quantum Chemistry
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Author : Michael P. Mueller
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-05-08
Fundamentals Of Quantum Chemistry written by Michael P. Mueller and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-05-08 with Science categories.
As quantum theory enters its second century, it is fitting to examine just how far it has come as a tool for the chemist. Beginning with Max Planck’s agonizing conclusion in 1900 that linked energy emission in discreet bundles to the resultant black-body radiation curve, a body of knowledge has developed with profound consequences in our ability to understand nature. In the early years, quantum theory was the providence of physicists and certain breeds of physical chemists. While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began the foray into the study of larger, molecular systems. Quantum theory predictions of these systems were first verified through experimental spectroscopic studies in the electromagnetic spectrum (microwave, infrared and ultraviolet/visible), and, later, by nuclear magnetic resonance (NMR) spectroscopy. Over two generations these studies were hampered by two major drawbacks: lack of resolution of spectroscopic data, and the complexity of calculations. This powerful theory that promised understanding of the fundamental nature of molecules faced formidable challenges. The following example may put things in perspective for today’s chemistry faculty, college seniors or graduate students: As little as 40 years ago, force field calculations on a molecule as simple as ketene was a four to five year dissertation project.
Fundamentals Of Quantum Chemistry
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Author : J. E. House
language : en
Publisher: Academic Press
Release Date : 2004
Fundamentals Of Quantum Chemistry written by J. E. House and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with Science categories.
This is a self-contained student-friendly introduction to the key concepts of quantum chemistry. The math is developed as needed and motivated by the concepts themselves. (Midwest).
Fundamentals Of Quantum Chemistry
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Author : Michael P. Mueller
language : en
Publisher:
Release Date : 2014-01-15
Fundamentals Of Quantum Chemistry written by Michael P. Mueller and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-15 with categories.
Fundamentals Of Quantum Chemistry
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Author : James E. House
language : en
Publisher:
Release Date : 2003
Fundamentals Of Quantum Chemistry written by James E. House and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with categories.
Fundamentals Of Quantum Chemistry
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Author : R Anantharaman
language : en
Publisher:
Release Date : 2000-01-01
Fundamentals Of Quantum Chemistry written by R Anantharaman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000-01-01 with categories.
This edition equips the reader with a complete understanding of fundamental topics like the concepts of operators and oscillatory and wave motions, gamma functions and cyclic determinants, whose knowledge is indispensable for studying other advanced treatises on Quantum Chemistry. This book will be of use to students and teachers of Quantum Chemistry.
Quantum Chemistry
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Author : Tamás Veszprémi
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Quantum Chemistry written by Tamás Veszprémi and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
`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.
Fundamentals Of Quantum Mechanics
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Author : J. E. House
language : en
Publisher: Academic Press
Release Date : 2017-04-19
Fundamentals Of Quantum Mechanics written by J. E. House and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-04-19 with Science categories.
Fundamentals of Quantum Mechanics, Third Edition is a clear and detailed introduction to quantum mechanics and its applications in chemistry and physics. All required math is clearly explained, including intermediate steps in derivations, and concise review of the math is included in the text at appropriate points. Most of the elementary quantum mechanical models—including particles in boxes, rigid rotor, harmonic oscillator, barrier penetration, hydrogen atom—are clearly and completely presented. Applications of these models to selected “real world topics are also included. This new edition includes many new topics such as band theory and heat capacity of solids, spectroscopy of molecules and complexes (including applications to ligand field theory), and small molecules of astrophysical interest. Accessible style and colorful illustrations make the content appropriate for professional researchers and students alike Presents results of quantum mechanical calculations that can be performed with readily available software Provides exceptionally clear discussions of spin-orbit coupling and group theory, and comprehensive coverage of barrier penetration (quantum mechanical tunneling) that touches upon hot topics, such as superconductivity and scanning tunneling microscopy Problems given at the end of each chapter help students to master concepts
Fundamentals Of Quantum Chemistry
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Author : Michael P. Mueller
language : en
Publisher: Createspace Independent Publishing Platform
Release Date : 2015-11-11
Fundamentals Of Quantum Chemistry written by Michael P. Mueller and has been published by Createspace Independent Publishing Platform this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-11 with categories.
As quantum theory enters its second century, it is fitting to examine just how far it has come as a tool for the chemist. Beginning with Max Planck's agonizing conclusion in 1900 that linked energy emission in discreet bundles to the resultant black-body radiation curve, a body of knowledge has developed with profound consequences in our ability to understand nature. In the early years, quantum theory was the providence of physicists and certain breeds of physical chemists. While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began the foray into the study of larger, molecular systems.
Fundamentals Of Quantum Mechanics
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Author : J. E. House
language : en
Publisher:
Release Date : 1998
Fundamentals Of Quantum Mechanics written by J. E. House and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Science categories.
The Fundamentals of Quantum Mechanics provides a clear exposition of the principles of quantum mechanics and its applications for chemistry students. In easy-to-understand terminology, the reader is taken from the early developments in physics that led to quantum mechanics through topics that are essential to understanding modern chemistry and physics. Only a basic knowledge of calculus and introductory chemistry is required. The book is designed for self-study and provides fully developed mathematical details. It stresses the applications of the harmonic oscillator, rigid rotor, barrier penetration, and hydrogen atom models. Topics dealing with chemical bonding, symmetry, and molecular orbitals provide the background necessary for the study of quantum mechanics at a more advanced level.
Fundamentals Of Quantum Chemistry
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Author : Michael R. Mueller
language : en
Publisher: Springer
Release Date : 2001
Fundamentals Of Quantum Chemistry written by Michael R. Mueller and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Quantum chemistry categories.
This text is designed as a practical introduction to quantum chemistry. Quantum chemistry is applied to explain and predict molecular spectroscopy and the electronic structure of atoms and molecules. In addition, the text provides a practical guide to using molecular mechanics and electronic structure computations including ab initio, semi-empirical, and density functional methods. The use of electronic structure computations is a timely subject as its applications in both theoretical and experimental chemical research is increasingly prevalent. This text is written in a format that fosters mastery of the subject both in competency in the mathematics and in obtaining a conceptual understanding of quantum mechanics. The chemistry student's interest is maintained early on in the text where quantum mechanics is developed by applying it to molecular spectroscopy and through conceptual questions labeled as Chemical Connection. Questions throughout the text labeled as Chemical Connection and Points of Further Understanding focus on conceptual understanding and consequences of quantum mechanics. If an Instructor chooses, these questions can be used as a basis for classroom discussion encouraging cooperative learning techniques. This text provides a solid foundation from which students can readily build further knowledge of quantum chemistry in more advanced courses. In cases where this is a final course in quantum chemistry, this text provides the student not only with an appreciation of the importance of quantum mechanics to chemistry, but also with a practical guide to using electronic structure computations.