Frontier Orbitals And Properties Of Organic Molecules
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Frontier Orbitals And Properties Of Organic Molecules
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Author : V. F. Travenʹ
language : en
Publisher: Prentice Hall
Release Date : 1992
Frontier Orbitals And Properties Of Organic Molecules written by V. F. Travenʹ and has been published by Prentice Hall this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Science categories.
Frontier Orbitals
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Author : Anh Quoc Nguyen
language : en
Publisher: John Wiley & Sons
Release Date : 2007-06-11
Frontier Orbitals written by Anh Quoc Nguyen 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 2007-06-11 with Science categories.
Many chemical phenomena cannot be explained by classical physics and need quantum mechanics for a full understanding. However these calculations are complicated and their results not always easily translated into chemical language. For most practical purposes chemists need simple “chemically transparent” methods which allow them to make qualitative general predictions. Frontier Orbitals introduces the most valuable of these methods, the frontier orbital approximation, and shows how it can be used for treating structural and reactivity problems in organic chemistry. Frontier Orbitals is a practical manual intended for tutorial classes or self-studies. Applications are classified by chemical criteria: competition between reagents (relative reactivity, including chemoselectivity), sites (regioselectivity) or reaction trajectories (stereoselectivity). The steps involved in solving each problem, such as the choice of model, the calculation of molecular orbitals, and the interpretation of results, are explained. Numerous exercises are found throughout the text, and the full solution and references are given in each case. An extensive listing of MO’s is also given to allow those without access to a computer to work out the exercises. Practical advice is given for those wishing to do their own calculations. Frontier Orbitals is aimed at experimentalists who are well versed in organic chemistry but have little or no understanding of quantum mechanics. A greater emphasis is put on chemistry than on quantum mechanics, and the intelligent use of the rules rather than their mathematical derivation. Written by one of the pioneers of the field, Frontier Orbitals is an essential practical guide to the successes and limitations of this theory.
Frontier Orbitals And Organic Chemical Reactions
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Author : Ian Fleming
language : en
Publisher: John Wiley & Sons
Release Date : 1977
Frontier Orbitals And Organic Chemical Reactions written by Ian Fleming 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 1977 with Science categories.
Molecular Orbitals And Organic Chemical Reactions
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Author : Ian Fleming
language : en
Publisher: John Wiley & Sons
Release Date : 2011-08-31
Molecular Orbitals And Organic Chemical Reactions written by Ian Fleming 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 2011-08-31 with Science categories.
Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions — How Far and How Fast Ionic Reactions — Reactivity Ionic Reactions — Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions Slides for lectures and presentations are available on the supplementary website: www.wiley.com/go/fleming_student Molecular Orbitals and Organic Chemical Reactions: Student Edition is an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. The Reference Edition edition takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. Further information can be viewed here. "These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books." -Professor Ian Fleming
Orbital Interaction Theory Of Organic Chemistry
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Author : Arvi Rauk
language : en
Publisher: Wiley-Interscience
Release Date : 1994-03-22
Orbital Interaction Theory Of Organic Chemistry written by Arvi Rauk and has been published by Wiley-Interscience this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-03-22 with Science categories.
All reactions of organic compounds are treated within the framework of generalized Lewis acid-Lewis base theory, their reactivity governed by characteristics of the frontier orbitals. Coverage includes symmetry and stereochemical relationships; orbitals and Hartree-Fock theory; applications of orbital interaction diagrams to O-bond descriptions and reactions; Hückel MO theory; pericyclic reactions; orbital correlation diagrams and photochemistry. Features numerous illustrations from recent literature. Includes a 3.5 inch disk which contains the basic interactive program for simple Hückel MO theory.
Symmetry Group Theory And Mathematical Treatment In Chemistry
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Author : Takashiro Akitsu
language : en
Publisher: BoD – Books on Demand
Release Date : 2018-07-18
Symmetry Group Theory And Mathematical Treatment In Chemistry written by Takashiro Akitsu and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-07-18 with Science categories.
The aim of this book Symmetry (Group Theory) and Mathematical Treatment in Chemistry is to be a graduate school-level text about introducing recent research examples associated with symmetry (group theory) and mathematical treatment in inorganic or organic chemistry, physical chemistry or chemical physics, and theoretical chemistry. Chapters contained can be classified into mini-review, tutorial review, or original research chapters of mathematical treatment in chemistry with brief explanation of related mathematical theories. Keywords are symmetry, group theory, crystallography, solid state, topology, molecular structure, electronic state, quantum chemistry, theoretical chemistry, and DFT calculations.
The Molecular Orbital Theory Of Organic Chemistry
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Author : Michael James Steuart Dewar
language : en
Publisher:
Release Date : 1969
The Molecular Orbital Theory Of Organic Chemistry written by Michael James Steuart Dewar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1969 with Science categories.
Molecular Orbital Theories Of Bonding In Organic Molecules
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Author : Robert L. Flurry
language : en
Publisher:
Release Date : 1968
Molecular Orbital Theories Of Bonding In Organic Molecules written by Robert L. Flurry and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1968 with Science categories.
The Organic Chemist S Book Of Orbitals
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Author : William Jorgensen
language : en
Publisher: Elsevier
Release Date : 2012-12-02
The Organic Chemist S Book Of Orbitals written by William Jorgensen and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
The Organic Chemist's Book of Orbitals focuses on the mechanisms, stereochemistry, and reactivity of molecular orbitals. Composed of four chapters, the book outlines how molecular orbitals are created by delocalization. Concerns include CC and CH single-bond orbitals; bond orbitals and group orbitals; and the localized orbitals of CH2 and CH3 groups. Schematic diagrams are presented to show the nature, reactions, and compositions of molecular orbitals. The text offers a list of molecules and orbital occupancies. Orbital drawings are presented to show the differences of the molecular orbitals of hydrogen, water, ammonia, methane, nitrogen, carbon monoxide, and acetylene. The book also provides an index of references for the molecular geometries and orbital energies employed in the orbital drawings. Considering the weight of data presented, the book is a great find for readers interested in studying molecular orbitals.
Semi Empirical Molecular Orbital Calculations And Their Application To Some Physical Chemical Properties Of Organic Molecules
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Author : Michael Richard Giddings
language : en
Publisher:
Release Date : 1975
Semi Empirical Molecular Orbital Calculations And Their Application To Some Physical Chemical Properties Of Organic Molecules written by Michael Richard Giddings and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1975 with categories.