Quantum Inorganic Chemistry

Quantum Inorganic Chemistry
Author:
Publisher: Royal Society of Chemistry
Total Pages: 478
Release: 2003
Genre: Science
ISBN: 9780854049677

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A discussion of recent developments in all aspects of computational chemistry.

Quantum Chemistry

Quantum Chemistry
Author: David B. Cook
Publisher: Imperial College Press
Total Pages: 276
Release: 2008
Genre: Science
ISBN: 1848162650

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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, physical and inorganic chemistry.

Quantum Mechanics for Chemists

Quantum Mechanics for Chemists
Author: David O. Hayward
Publisher: Royal Society of Chemistry
Total Pages: 196
Release: 2002
Genre: Education
ISBN: 9780854046072

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This book is designed to provide chemistry undergraduates with a basic understanding of the principles of quantum mechanics.

Frontiers of Quantum Chemistry

Frontiers of Quantum Chemistry
Author: Marek J. Wójcik
Publisher: Springer
Total Pages: 507
Release: 2017-11-06
Genre: Science
ISBN: 981105651X

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The 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

Theoretical and Quantum Mechanics
Author: Stefan Ivanov
Publisher: Springer Science & Business Media
Total Pages: 525
Release: 2006-10-03
Genre: Science
ISBN: 1402036884

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This 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

Principles of Quantum Chemistry
Author: David V. George
Publisher: Elsevier
Total Pages: 284
Release: 2013-10-22
Genre: Science
ISBN: 1483278557

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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.

Introduction to Quantum Chemistry

Introduction to Quantum Chemistry
Author: Carole R. Gatz
Publisher: Merrill Publishing Company
Total Pages: 550
Release: 1971
Genre: Quantum chemistry
ISBN: 9780675092579

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Contemporary Quantum Chemistry

Contemporary Quantum Chemistry
Author: J. Goodisman
Publisher: Springer Science & Business Media
Total Pages: 380
Release: 2012-12-06
Genre: Science
ISBN: 1468422685

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Some 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

Fundamentals of Quantum Chemistry
Author: J. E. House
Publisher: Academic Press
Total Pages: 310
Release: 2004
Genre: Science
ISBN: 0123567718

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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).

Neither Physics nor Chemistry

Neither Physics nor Chemistry
Author: Kostas Gavroglu
Publisher: MIT Press
Total Pages: 367
Release: 2011-10-07
Genre: Science
ISBN: 0262297876

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The evolution of a discipline at the intersection of physics, chemistry, and mathematics. Quantum chemistry—a discipline that is not quite physics, not quite chemistry, and not quite applied mathematics—emerged as a field of study in the 1920s. It was referred to by such terms as mathematical chemistry, subatomic theoretical chemistry, molecular quantum mechanics, and chemical physics until the community agreed on the designation of quantum chemistry. In Neither Physics Nor Chemistry, Kostas Gavroglu and Ana Simões examine the evolution of quantum chemistry into an autonomous discipline, tracing its development from the publication of early papers in the 1920s to the dramatic changes brought about by the use of computers in the 1970s. The authors focus on the culture that emerged from the creative synthesis of the various traditions of chemistry, physics, and mathematics. They examine the concepts, practices, languages, and institutions of this new culture as well as the people who established it, from such pioneers as Walter Heitler and Fritz London, Linus Pauling, and Robert Sanderson Mulliken, to later figures including Charles Alfred Coulson, Raymond Daudel, and Per-Olov Löwdin. Throughout, the authors emphasize six themes: epistemic aspects and the dilemmas caused by multiple approaches; social issues, including academic politics, the impact of textbooks, and the forging of alliances; the contingencies that arose at every stage of the developments in quantum chemistry; the changes in the field when computers were available to perform the extraordinarily cumbersome calculations required; issues in the philosophy of science; and different styles of reasoning.