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Huckel Molecular Orbitals Hmo
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Book Synopsis Hückel Molecular Orbital Theory by : Keith Yates
Download or read book Hückel Molecular Orbital Theory written by Keith Yates and published by Elsevier. This book was released on 2012-12-02 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis HMO Hückel Molecular Orbitals by : Edgar Heilbronner
Download or read book HMO Hückel Molecular Orbitals written by Edgar Heilbronner and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 774 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Huckel molecular orbitals, HMO by : Edgar Heilbronner
Download or read book Huckel molecular orbitals, HMO written by Edgar Heilbronner and published by . This book was released on with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis HMO Hückel Molecular Orbitals by : Edgar Heilbronner
Download or read book HMO Hückel Molecular Orbitals written by Edgar Heilbronner and published by Springer. This book was released on 2014-11-28 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The HMO Model and Its Application by : Edgar Heilbronner
Download or read book The HMO Model and Its Application written by Edgar Heilbronner and published by Wiley-VCH. This book was released on 1976 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis HMO-Hueckel Molecular Orbitals by : Edgar Heilbronner
Download or read book HMO-Hueckel Molecular Orbitals written by Edgar Heilbronner and published by . This book was released on 1966-01-01 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Approximate Molecular Orbital Theory by : John A. Pople
Download or read book Approximate Molecular Orbital Theory written by John A. Pople and published by . This book was released on 1970 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Orbital Interaction Theory of Organic Chemistry by : Arvi Rauk
Download or read book Orbital Interaction Theory of Organic Chemistry written by Arvi Rauk and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Topological Approach to the Chemistry of Conjugated Molecules by : A. Graovac
Download or read book Topological Approach to the Chemistry of Conjugated Molecules written by A. Graovac and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 131 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The second step is to determine constitution, Le. which atoms are bonded to which and by what types of bond. The result is ex pressed by a planar graph (or the corresponding connectivity mat rix) •••• In constitutional formulae, the atoms are represented by letters and the bonds by lines. They describe the topology of the molecule." VLADIMIR PRELOG, Nobel Lecture, December l2;h 1975. In the present notes we describe the topological approach to the che mistry of conjugated molecules using graph-theoretical concepts. Con jugatedstructures may be conveniently studied using planar and connec ted graphs because they reflect in the simple way the connectivity of their pi-centers. Connectivity is important topological property of a molecule which allows a conceptual qualitative understanding, via a non numerical analysis, of many chemical phenomena or at least that part of phenomenon which depends on topology. This would not be possible sole ly by means of numerical (molecular orbital) analysis.
Book Synopsis Advanced Organic Chemistry by : Francis A. Carey
Download or read book Advanced Organic Chemistry written by Francis A. Carey and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 829 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this edition, like that of the earlier ones, is to provide the basis for a deeper understanding of the structures of organic compounds and the mechanisms of organic reactions. The level is aimed at advanced undergraduates and beginning graduate students. Our goals are to solidify the student's understanding of basic concepts provided by an introduction to organic chemistry and to present more information and detail, including quantitative information, than can be presented in the first course in organic chemistry. The first three chapters consider the fundamental topi~s of bonding theory, stereochemistry, and conformation. Chapter 4 discusses the techniques that are used to study and characterize reaction mechanisms. Chapter 9 focuses on aromaticity and the structural basis of aromatic stabilization. The remaining chapters consider basic reaction types, including substituent effects and stereochemistry. As compared to the earlier editions, there has been a modest degree of reorganization. The emergence of free-radical reactions in synthesis has led to the inclusion of certain aspects of free-radical chemistry in Part B. The revised chapter, Chapter 12, empha sizes the distinctive mechanistic and kinetic aspects of free-radical reactions. The synthetic applications will be considered in Part B. We have also split the topics of aromaticity and the reactions of aromatic compounds into two separate chapters, Chapters 9 and 10. This may facilitate use of Chapter 9, which deals with the nature of aromaticity, at an earlier stage if an instructor so desires.
Book Synopsis QUANTUM MECHANICS IN PHYSICS AND CHEMISTRY WITH APPLICATIONS TO BIOLOGY by : RABI MAJUMDAR
Download or read book QUANTUM MECHANICS IN PHYSICS AND CHEMISTRY WITH APPLICATIONS TO BIOLOGY written by RABI MAJUMDAR and published by PHI Learning Pvt. Ltd.. This book was released on 2014-12-03 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive treatment of the principles and applications of quantum mechanics with equal emphasis on concept building and problem solving. The book follows an integrated approach to expose the students to applications of quantum mechanics in both physics and chemistry streams. A chapter is devoted to biological applications as well, to evince the interest of the students pursuing courses in Biotechnology and Bioinformatics. Such unique organization of the book makes it suitable for both Quantum Mechanics and Quantum Chemistry courses, where the common areas like molecular structure and spectroscopy are emphasized. The book, in its second edition, continues to serve as an ideal textbook for the first-year postgraduate students of both physics and chemistry as well as for senior undergraduate students pursuing honours courses in these disciplines. It has been thoroughly revised and enlarged with the introduction of a new chapter on “Quantum Statistics and Planck's Law of Black-Body Radiation”, some important sections in various chapters and more worked-out examples. The book helps students learn difficult concepts of quantum mechanics with simpler mathematics and intuitive language, but without sacrificing rigour. It has informal classroom type approach suitable for self-learning. Key Features • Gives about 200 worked-out examples and chapter-end problems with hints and answers related to different areas of modern science including biology. • Highlights important technological developments based on Quantum Mechanics, such as electron microscope, scanning tunnelling microscope, lasers, Raman spectroscopy and Nuclear Magnetic Resonance (NMR). • Provides adequate number of illustrations. • Includes detailed mathematical derivations separately in Appendices for a more rigorous approach.
Book Synopsis Perspectives on Structure and Mechanism in Organic Chemistry by : Felix A. Carroll
Download or read book Perspectives on Structure and Mechanism in Organic Chemistry written by Felix A. Carroll and published by John Wiley & Sons. This book was released on 2011-09-20 with total page 972 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps to develop new perspectives and a deeper understanding oforganic chemistry Instructors and students alike have praised Perspectives onStructure and Mechanism in Organic Chemistry because itmotivates readers to think about organic chemistry in new andexciting ways. Based on the author's first hand classroomexperience, the text uses complementary conceptual models to givenew perspectives on the structures and reactions of organiccompounds. The first five chapters of the text discuss the structure andbonding of stable molecules and reactive intermediates. These arefollowed by a chapter exploring the methods that organic chemistsuse to study reaction mechanisms. The remaining chapters examinedifferent types of acid-base, substitution, addition, elimination,pericyclic, and photochemical reactions. This Second Edition has been thoroughly updated andrevised to reflect the latest findings in physical organicchemistry. Moreover, this edition features: New references to the latest primary and review literature More study questions to help readers better understand andapply new concepts in organic chemistry Coverage of new topics, including density functional theory,quantum theory of atoms in molecules, Marcus theory, molecularsimulations, effect of solvent on organic reactions, asymmetricinduction in nucleophilic additions to carbonyl compounds, anddynamic effects on reaction pathways The nearly 400 problems in the text do more than allow studentsto test their understanding of the concepts presented in eachchapter. They also encourage readers to actively review andevaluate the chemical literature and to develop and defend theirown ideas. With its emphasis on complementary models and independentproblem-solving, this text is ideal for upper-level undergraduateand graduate courses in organic chemistry.
Book Synopsis Imaging and Manipulating Molecular Orbitals by : Leonhard Grill
Download or read book Imaging and Manipulating Molecular Orbitals written by Leonhard Grill and published by Springer Science & Business Media. This book was released on 2013-08-16 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: Imaging and Manipulating Molecular Orbitals celebrates the 60th anniversary of the first image of a single molecule by E. Müller. This book summarizes the advances in the field from various groups around the world who use a broad range of experimental techniques: scanning probe microscopy (STM and AFM), field emission microscopy, transmission electron microscopy, attosecond tomography and photoemission spectroscopy. The book is aimed at those who are interested in the field of molecular orbital imaging and manipulation. Included in the book are a variety of experimental techniques in combination with theoretical approaches which describe the spatial distribution and energies of the molecular orbitals. The goal is to provide the reader with an up-to-date summary on the latest developments in this field from various points of view.
Book Synopsis Chemoinformatics by : Johann Gasteiger
Download or read book Chemoinformatics written by Johann Gasteiger and published by John Wiley & Sons. This book was released on 2006-12-13 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first work to be devoted entirely to this increasingly important field, the "Textbook" provides both an in-depth and comprehensive overview of this exciting new area. Edited by Johann Gasteiger and Thomas Engel, the book provides an introduction to the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as such applications as structure elucidation, reaction simulation, synthesis planning and drug design. A "hands-on" approach with step-by-step tutorials and detailed descriptions of software tools and Internet resources allows easy access for newcomers, advanced users and lecturers alike. For a more detailed presentation, users are referred to the "Handbook of Chemoinformatics", which will be published separately. Johann Gasteiger is the recipient of the 1991 Gmelin-Beilstein Medal of the German Chemical Society for Achievements in Computer Chemistry, and the Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society (ACS) in 1997. Thomas Engel joined the research group headed by Johann Gasteiger at the University of Erlangen-Nuremberg and is a specialist in chemoinformatics.
Book Synopsis Fundamentals of Quantum Chemistry by : J. E. House
Download or read book Fundamentals of Quantum Chemistry written by J. E. House and published by Academic Press. This book was released on 2004 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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).
Book Synopsis Chemical Graph Theory by : Nenad Trinajstic
Download or read book Chemical Graph Theory written by Nenad Trinajstic and published by Routledge. This book was released on 2018-05-11 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: New Edition! Completely Revised and Updated Chemical Graph Theory, 2nd Edition is a completely revised and updated edition of a highly regarded book that has been widely used since its publication in 1983. This unique book offers a basic introduction to the handling of molecular graphs - mathematical diagrams representing molecular structures. Using mathematics well within the vocabulary of most chemists, this volume elucidates the structural aspects of chemical graph theory: (1) the relationship between chemical and graph-theoretical terminology, elements of graph theory, and graph-theoretical matrices; (2) the topological aspects of the Hückel theory, resonance theory, and theories of aromaticity; and (3) the applications of chemical graph theory to structure-property and structure-activity relationships and to isomer enumeration. An extensive bibliography covering the most relevant advances in theory and applications is one of the book's most valuable features. This volume is intended to introduce the entire chemistry community to the applications of graph theory and will be of particular interest to theoretical organic and inorganic chemists, physical scientists, computational chemists, and those already involved in mathematical chemistry.
Book Synopsis Electronic Absorption Spectroscopy and Related Techniques by : D. N. Sathyanarayana
Download or read book Electronic Absorption Spectroscopy and Related Techniques written by D. N. Sathyanarayana and published by Universities Press. This book was released on 2001 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a conceptual and experimental basis for the interpretation of electronic absorption spectroscopy and related techniques. The basic theories, instrumentation and interpretation of the spectra of organic and coordination compounds for structural studies are presented step-by-step, in an easily understandable style. related topics of emission spectroscopes are covered as well.
