Quantum Inorganic Chemistry
Author:
Publisher: Royal Society of Chemistry
Published: 2003
Total Pages: 478
ISBN-13: 9780854049677
DOWNLOAD EBOOKA discussion of recent developments in all aspects of computational chemistry.
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Quantum Chemistry
Author: David B. Cook
Publisher: Imperial College Press
Published: 2008
Total Pages: 276
ISBN-13: 1848162650
DOWNLOAD EBOOKThis 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, physical and inorganic chemistry.
Quantum Mechanics for Chemists
Author: David O. Hayward
Publisher: Royal Society of Chemistry
Published: 2002
Total Pages: 196
ISBN-13: 9780854046072
DOWNLOAD EBOOKThis book is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics.
Quantum Chemistry of Organic Compounds
Author: Vladimir I. Minkin
Publisher: Springer Science & Business Media
Published: 2012-12-06
Total Pages: 281
ISBN-13: 3642756794
DOWNLOAD EBOOKChemistry is the science of substances (today we would say molecules) and their transformations. Central to this science is the complexity of shape and function of its typical representatives. There lies, no longer dependent on its vitalistic antecedents, the rich realm of molecular possibility called organic chemistry. In this century we have learned how to determine the three-dimensional structure of molecules. Now chemistry as whole, and organic chemistry in particular, is poised to move to the exploration of its dynamic dimension, the busy business of transformations or reactions. Oh, it has been done all along, for what else is synthesis? What I mean is that the theoretical framework accom panying organic chemistry, long and fruitfully laboring on a quantum chemical understanding of structure, is now making the first tentative motions toward building an organic theory of reactivity. The Minkin, Simkin, Minyaev book takes us in that direction. It incorporates the lessons of frontier orbital theory and of Hartree-Fock SCF calculations; what chemical physicists have learned about trajectory calculations of selected reactions, and a simplified treatment of all-important solvent effects. It is written by professional, accomplished organic chemists for other organic chemists; it is consistently even-toned in its presentation of contending approaches. And very much up to date. That this contemporary work should emerge from a regional university in a country in which science has been highly centralized and organic chemistry not very modern, invites reflection.
Frontiers of Quantum Chemistry
Author: Marek J. Wójcik
Publisher: Springer
Published: 2017-11-06
Total Pages: 507
ISBN-13: 981105651X
DOWNLOAD EBOOKThe purpose of this book is to convey to the worldwide scientific community the rapid and enthusiastic progress of state-of-the-art quantum chemistry. Quantum chemistry continues to grow with remarkable success particularly due to rapid progress in supercomputers. The usefulness of quantum chemistry is almost limitless. Its application covers not only physical chemistry but also organic and inorganic chemistry, physics, and life sciences. This book deals with all of these topics. Frontiers of Quantum Chemistry is closely related to the symposium of the same name held at Kwansei Gakuin University at Nishinomiya, Japan, in November 2015. The book's contributors, however, include not only invited speakers at the symposium but also many other distinguished scientists from wide areas of quantum chemistry around the world.
Theoretical and Quantum Mechanics
Author: Stefan Ivanov
Publisher: Springer Science & Business Media
Published: 2006-10-03
Total Pages: 525
ISBN-13: 1402036884
DOWNLOAD EBOOKThis book has emerged from an undergraduate course as well as a graduate one, which I have taught for a number of years. Recently, many universities have experimented by bringing quantum theory forward in the curriculum and we follow their example. This book is intended to serve as an introduction to theoretical mechanics and quantum mechanics for chemists. I have included those parts of quantum mechanics which are of greatest fundamental interest and utility, and have developed those parts of classical mechanics which relate to and illuminate them. I try to give a comprehensive treatment wherever possible. The book would acquaint chemists with the quantum structure of the basic object of chemistry, the atom. My intention is to bridge the gap between classical physics, general and inorganic chemistry, and quantum mechanics. For these reasons: 1. I present in one course the basics of theoretical mechanics and quantum mechanics, to emphasise the continuity between them; 2. I have chosen the topics of theoretical mechanics based upon two criteria: a) usefulness for chemical problems: two-body problem; rotational motion of a charged particles (free and in an atom); interaction of a magnetic field with a magnetic dipole; details of small oscillations and oscillations of molecules; b) the need for transition from classical to quantum mechanics: basics of Lagrangian mechanics; basics of Hamiltonian mechanics; 3. I give detailed explanation of an application of the quantum method to simple systems: one-dimensional potential, harmonic oscillator, hydrogen atom, and hydrog- like atoms.
Principles of Quantum Chemistry
Author: David V. George
Publisher: Elsevier
Published: 2013-10-22
Total Pages: 284
ISBN-13: 1483278557
DOWNLOAD EBOOKPrinciples 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.
Introduction to Quantum Chemistry
Author: Carole R. Gatz
Publisher: Merrill Publishing Company
Published: 1971
Total Pages: 550
ISBN-13: 9780675092579
DOWNLOAD EBOOKContemporary Quantum Chemistry
Author: J. Goodisman
Publisher: Springer Science & Business Media
Published: 2012-12-06
Total Pages: 380
ISBN-13: 1468422685
DOWNLOAD EBOOKSome knowledge of the principles of quantum mechanics and how they are applied to theoretical chemistry, it is generally agreed, should be part of the education of all chemists. This instruction in quantum chemistry is either added to the more traditional topics of physical chemistry or given separately; at Syracuse University it forms the third semester of the physical chemistry sequence. While a wide variety of textbooks and monographs on the subject of quantum chemistry exists, the author of the present text found that none of them was satisfactory for his purposes, i. e. , none fit his ideas of what subjects should be discussed and in what way. This book is presented with the hope that others with similar experiences will agree with him and endorse his conclusions. The undergraduate student to whom our attentions are directed is a chemistry major, but probably will not go on to graduate school in physical chemistry. He may take several more chemistry courses as an undergraduate and then seek a position in industry, or perhaps he will do graduate work in organic or inorganic chemistry. (Of course, one never stops hoping that, as a result of this first course, he will decide to learn more quantum chem istry.
Fundamentals of Quantum Chemistry
Author: J. E. House
Publisher: Academic Press
Published: 2004
Total Pages: 310
ISBN-13: 0123567718
DOWNLOAD EBOOKThis 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).
