Hückel Molecular Orbital Theory

Author : Keith Yates
Publisher : Elsevier
Page : 384 pages
File Size : 46,7 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323152990

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Hückel Molecular Orbital Theory by Keith Yates Pdf

Huckel Molecular Orbital Theory aims to be a simple, descriptive, and non-mathematical introduction to the Huckel molecular orbital theory and its applications in organic chemistry, thus the more basic text found in the book. The book, after an introduction to related concepts such as quantum mechanics and chemical bonding, discusses the Huckel molecular orbital theory and its basic assumptions; the variation principle and the basic Huckel method; and the use of symmetry properties in simplifying Huckel method orbital calculations. The book also covers other related topics such as the extensions and improvements of the simple Huckel method; the quantitative significance Huckel molecular orbital results; and the principle of conservation of orbital symmetry. The text is recommended for undergraduate students of organic chemistry who wish to be acquainted with the basics of the Huckel molecular orbital theory.

Author : Anonim
Publisher : Unknown
Page : 371 pages
File Size : 42,9 Mb
Release : 1978
Category : Chemistry, Organic
ISBN : OCLC:475673760

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Hückel Molecular Orbital Theory by Anonim Pdf

Author : Charles Alfred Coulson,Dr. Brian O'Leary,Brian O'Leary,R. B. Mallion
Publisher : Unknown
Page : 210 pages
File Size : 44,8 Mb
Release : 1978
Category : Chemistry, Organic
ISBN : UCSD:31822011031267

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Hückel Theory for Organic Chemists by Charles Alfred Coulson,Dr. Brian O'Leary,Brian O'Leary,R. B. Mallion Pdf

Author : Edgar Heilbronner
Publisher : Unknown
Page : 0 pages
File Size : 52,5 Mb
Release : 2024-06-16
Category : Molecular orbitals
ISBN : OCLC:500537533

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Huckel molecular orbitals, HMO by Edgar Heilbronner Pdf

Author : G.H. Wagniere
Publisher : Springer Science & Business Media
Page : 114 pages
File Size : 53,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642930508

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Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods by G.H. Wagniere Pdf

These notes summarize in part lectures held regularly at the University of Zurich and, in the Summer of 1974, at the Semi nario Latinoamericano de QUimica Cuantica in Mexico. I am grateful to those who have encouraged me to publish these lec tures or have contributed to them by their suggestions. In particular, I wish to thank Professor J. Keller of the Univer sidad Nacional Autonoma in Mexico, Professor H. Labhart and Professor H. Fischer of the University of Zurich, as well as my former students Dr. J. Kuhn, Dr. W. Hug and Dr. R. Geiger. The aim of these notes is to provtde a summary and concise introduction to elementary molecular orbital theory, with an emphasis on semiempirical methods. Within the last decade the development and refinement of ab initio computations has tended to overshadow the usefulness of semiempirical methods. However, both approaches have their justification. Ab initio methods are designed for accurate predictions, at the expense of greater computational labor. The aim of semiempirical methods mainly lies in a semiquantitative classification of electronic pro perties and in the search for regularities within given classes of larger molecules. The reader is supposed to have had some previous basic instruc tion in quantum mechanics, such as is now offered in many uni versities to chemists in their third or fourth year of study. The bibliography should encourage the reader to consult other texts, in particular also selected publications in scientific journals.

Author : Edgar Heilbronner,Walther Straub
Publisher : Springer Science & Business Media
Page : 774 pages
File Size : 45,9 Mb
Release : 2013-06-29
Category : Medical
ISBN : 9783642949630

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HMO Hückel Molecular Orbitals by Edgar Heilbronner,Walther Straub Pdf

Author : John Norman Murrell,Alan John Harget
Publisher : John Wiley & Sons
Page : 200 pages
File Size : 44,6 Mb
Release : 1972
Category : Molecular orbitals
ISBN : UCAL:B4455388

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Semi-empirical Self-consistent-field Molecular Orbital Theory of Molecules by John Norman Murrell,Alan John Harget Pdf

Author : Arvi Rauk
Publisher : John Wiley & Sons
Page : 360 pages
File Size : 45,9 Mb
Release : 2004-04-07
Category : Science
ISBN : 9780471461845

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Orbital Interaction Theory of Organic Chemistry by Arvi Rauk Pdf

A practical introduction to orbital interaction theory and its applications in modern organic chemistry Orbital interaction theory is a conceptual construct that lies at the very heart of modern organic chemistry. Comprising a comprehensive set of principles for explaining chemical reactivity, orbital interaction theory originates in a rigorous theory of electronic structure that also provides the basis for the powerful computational models and techniques with which chemists seek to describe and exploit the structures and thermodynamic and kinetic stabilities of molecules. Orbital Interaction Theory of Organic Chemistry, Second Edition introduces students to the fascinating world of organic chemistry at the mechanistic level with a thoroughly self-contained, well-integrated exposition of orbital interaction theory and its applications in modern organic chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive intermediates in terms of orbital interaction theory. Aided by numerous examples and worked problems, he guides readers through basic chemistry concepts, such as acid and base strength, nucleophilicity, electrophilicity, and thermal stability (in terms of orbital interactions), and describes various computational models for describing those interactions. Updated and expanded, this latest edition of Orbital Interaction Theory of Organic Chemistry includes a completely new chapter on organometallics, increased coverage of density functional theory, many new application examples, and worked problems. The text is complemented by an interactive computer program that displays orbitals graphically and is available through a link to a Web site. Orbital Interaction Theory of Organic Chemistry, Second Edition is an excellent text for advanced-level undergraduate and graduate students in organic chemistry. It is also a valuable working resource for professional chemists seeking guidance on interpreting the quantitative data produced by modern computational chemists.

Author : John P. Lowe
Publisher : Elsevier
Page : 732 pages
File Size : 41,6 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780080515540

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Quantum Chemistry by John P. Lowe Pdf

Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom, many-electron atoms, and principles of quantum mechanics. It then provides thorough treatments of variation and perturbation methods, group theory, ab initio theory, Huckel and extended Huckel methods, qualitative MO theory, and MO theory of periodic systems. Chapters are completed with exercises to facilitate self-study. Solutions to selected exercises are included. Assumes little mathematical or physical sophistication Emphasizes understanding of the techniques and results of quantum chemistry Includes improved coverage of time-dependent phenomena, term symbols, and molecular rotation and vibration Provides a new chapter on molecular orbital theory of periodic systems Features new exercise sets with solutions Includes a helpful new appendix that compiles angular momentum rules from operator algebra

Author : Catherine E. Housecroft
Publisher : Unknown
Page : 224 pages
File Size : 43,8 Mb
Release : 2001
Category : Chemistry, Inorganic
ISBN : 0582310849

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Inorganic Chemistry by Catherine E. Housecroft Pdf

This manual contains Catherine Housecroft's detailed worked solutions to all the end of chapter problems within Inorganic Chemistry. It provides fully worked answers to all non-descriptive problems; bullet-point essay plans; general notes of further explanation of particular topics and tips on completing problems; cross-references to main text and to other relevant problems; margin notes for guidance and graphs, structures and diagrams. It includes Periodic table and Table of Physical Constants for reference. This manual should be a useful tool in helping students to grasp problem-solving skills and to both lecturers and students who are using the main Inorganic Chemistry text.

Author : Ajit Thakkar
Publisher : Morgan & Claypool Publishers
Page : 173 pages
File Size : 51,7 Mb
Release : 2017-10-03
Category : Science
ISBN : 9781681746388

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Quantum Chemistry by Ajit Thakkar Pdf

This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages.

Author : Arno Liberles
Publisher : Unknown
Page : 216 pages
File Size : 50,5 Mb
Release : 1966
Category : Molecular orbitals
ISBN : STANFORD:36105031279891

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Introduction to Molecular-orbital Theory by Arno Liberles Pdf

Author : Lionel Salem
Publisher : Unknown
Page : 642 pages
File Size : 41,6 Mb
Release : 1966
Category : Chemistry, Organic
ISBN : STANFORD:36105030122860

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The Molecular Orbital Theory of Conjugated Systems by Lionel Salem Pdf

Author : David V. George
Publisher : Elsevier
Page : 284 pages
File Size : 47,5 Mb
Release : 2013-10-22
Category : Science
ISBN : 9781483278551

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Principles of Quantum Chemistry by David V. George Pdf

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.

Author : John A. Pople,David L. Beveridge
Publisher : Unknown
Page : 228 pages
File Size : 47,5 Mb
Release : 1970
Category : Science
ISBN : UOM:39015051247198

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Approximate Molecular Orbital Theory by John A. Pople,David L. Beveridge Pdf