Principles Of Quantum Chemistry
DOWNLOAD
Download Principles Of Quantum Chemistry PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Principles Of Quantum Chemistry book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Principles Of Quantum Chemistry
DOWNLOAD
Author : David V. George
language : en
Publisher: Elsevier
Release Date : 2013-10-22
Principles Of Quantum Chemistry written by David V. George and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Science categories.
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.
Principles And Applications Of Quantum Chemistry
DOWNLOAD
Author : V.P. Gupta
language : en
Publisher: Academic Press
Release Date : 2015-10-15
Principles And Applications Of Quantum Chemistry written by V.P. Gupta and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-15 with Science categories.
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
Principles Of Quantum Mechanics
DOWNLOAD
Author : Donald D. Fitts
language : en
Publisher: Cambridge University Press
Release Date : 1999-08-26
Principles Of Quantum Mechanics written by Donald D. Fitts and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-08-26 with Science categories.
This text presents a rigorous mathematical account of the principles of quantum mechanics, in particular as applied to chemistry and chemical physics. Applications are used as illustrations of the basic theory. The first two chapters serve as an introduction to quantum theory, although it is assumed that the reader has been exposed to elementary quantum mechanics as part of an undergraduate physical chemistry or atomic physics course. Following a discussion of wave motion leading to Schrödinger's wave mechanics, the postulates of quantum mechanics are presented along with essential mathematical concepts and techniques. The postulates are rigorously applied to the harmonic oscillator, angular momentum, the hydrogen atom, the variation method, perturbation theory, and nuclear motion. Modern theoretical concepts such as hermitian operators, Hilbert space, Dirac notation, and ladder operators are introduced and used throughout. This text is appropriate for beginning graduate students in chemistry, chemical physics, molecular physics and materials science.
Principles Of Quantum Mechanics
DOWNLOAD
Author : R. Shankar
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Principles Of Quantum Mechanics written by R. Shankar 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.
R. Shankar has introduced major additions and updated key presentations in this second edition of Principles of Quantum Mechanics. New features of this innovative text include an entirely rewritten mathematical introduction, a discussion of Time-reversal invariance, and extensive coverage of a variety of path integrals and their applications. Additional highlights include: - Clear, accessible treatment of underlying mathematics - A review of Newtonian, Lagrangian, and Hamiltonian mechanics - Student understanding of quantum theory is enhanced by separate treatment of mathematical theorems and physical postulates - Unsurpassed coverage of path integrals and their relevance in contemporary physics The requisite text for advanced undergraduate- and graduate-level students, Principles of Quantum Mechanics, Second Edition is fully referenced and is supported by many exercises and solutions. The book’s self-contained chapters also make it suitable for independent study as well as for courses in applied disciplines.
The Principles Of Quantum Mechanics
DOWNLOAD
Author : Paul Adrien Maurice Dirac
language : en
Publisher: Oxford University Press
Release Date : 1981
The Principles Of Quantum Mechanics written by Paul Adrien Maurice Dirac and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1981 with Science categories.
The first edition of this work appeared in 1930, and its originality won it immediate recognition as a classic of modern physical theory. The fourth edition has been bought out to meet a continued demand. Some improvements have been made, the main one being the complete rewriting of the chapter on quantum electrodymanics, to bring in electron-pair creation. This makes it suitable as an introduction to recent works on quantum field theories.
Quantum Mechanics For Chemists
DOWNLOAD
Author : David O. Hayward
language : en
Publisher: Royal Society of Chemistry
Release Date : 2002
Quantum Mechanics For Chemists written by David O. Hayward and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002 with Education categories.
Quantum Mechanics for Chemists is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics. The text assumes some knowledge of chemical bonding and a familiarity with the qualitative aspects of molecular orbitals in molecules such as butadiene and benzene. Thus it is intended to follow a basic course in organic and/or inorganic chemistry. The approach is rather different from that adopted in most books on quantum chemistry in that the Schr÷dinger wave equation is introduced at a fairly late stage, after students have become familiar with the application of de Broglie-type wavefunctions to free particles and particles in a box. Likewise, the Hamiltonian operator and the concept of eigenfunctions and eigenvalues are not introduced until the last two chapters of the book, where approximate solutions to the wave equation for many-electron atoms and molecules are discussed. In this way, students receive a gradual introduction to the basic concepts of quantum mechanics. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples.
Quantum Medicinal Chemistry
DOWNLOAD
Author : Paolo Carloni
language : de
Publisher: John Wiley & Sons
Release Date : 2006-03-06
Quantum Medicinal Chemistry written by Paolo Carloni and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-03-06 with Science categories.
Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceutical practice, whether the study of inhibitor binding, identifying the surface load of active substances or deriving molecular descriptors using quantum chemical tools. For anyone striving to stay ahead in this rapidly evolving field.
Chemistry From First Principles
DOWNLOAD
Author : Jan C. A. Boeyens
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-09-18
Chemistry From First Principles written by Jan C. A. Boeyens 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 2008-09-18 with Science categories.
"Chemistry from First Principles" examines the appearance of matter in its most primitive form. It features the empirical rules of chemical affinity that regulate the synthesis and properties of molecular matter, analyzes the compatibility of the theories of chemistry with the quantum and relativity theories of physics, formulates a consistent theory based on clear physical pictures and manageable mathematics to account for chemical concepts such as the structure and stability of atoms and molecules. This text also explains the self-similarity between space-time, nuclear structure, covalent assembly, biological growth, planetary systems, and galactic conformation.
Introduction To Quantum Mechanics With Applications To Chemistry
DOWNLOAD
Author : Linus Pauling
language : en
Publisher: Courier Corporation
Release Date : 2012-06-08
Introduction To Quantum Mechanics With Applications To Chemistry written by Linus Pauling and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-06-08 with Science categories.
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.