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Applications Of Mo Theory In Organic Chemistry Proceedings 1st Theoretical Organic Chemistry Meeting
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Book Synopsis Applications of MO Theory in Organic Chemistry by : I.G. Csizmadia
Download or read book Applications of MO Theory in Organic Chemistry written by I.G. Csizmadia and published by Elsevier. This book was released on 2013-09-17 with total page 641 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applications of MO Theory in Organic Chemistry is a documentation of the proceedings of the First Theoretical Organic Chemistry meeting. This text is divided into five sections. Section A contains contributions ranging from the stereochemistry of stable molecules, radicals, and molecular ions, through hydrogen bonding and ion solvation to mathematical analyses of energy hypersurfaces. Section B deals with theoretical studies of organic reactions, including basecatalyzed hydrolysis, protonation, epoxidation, and electrophilic addition to double and triple bonds. Section C consists of topics starting with a qualitative configuration interaction treatment of thermal and photochemical organic reactions, followed by ab initio treatments of photochemical intermediates and a consideration of the role of Rydberg and valence-shell states in photochemistry. Section D provides analyses of methods for the determination and characterization of localized MO and discussions of correlated electron pair functions. Section E covers a very wide range from the application of statistical physics to the treatment of molecular interactions with their environments to a challenge to theoretical organic chemists in the field of natural products, and an introduction to information theory in organic chemistry. This book is a good source of information for students and researchers conducting study on the many areas in theoretical organic chemistry.
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 Electronic Absorption Spectra and Geometry of Organic Molecules by : Hiroshi Suzuki
Download or read book Electronic Absorption Spectra and Geometry of Organic Molecules written by Hiroshi Suzuki and published by Elsevier. This book was released on 2012-12-02 with total page 583 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Absorption Spectra and Geometry of Organic Molecules: An Application of Molecular Orbital Theory focuses on electronic absorption spectra of organic compounds and molecules. The book begins with the discussions on molecular spectra, electronic absorption spectra of organic compounds, and practical measures of absorption intensity. The text also focuses on molecular orbital theory and group theory. Molecular state functions; fundamental postulates of quantum theory; representation of symmetry groups; and symmetry operations and symmetry groups are described. The book also discusses shape of absorption bands and geometry of excited electronic states; effect of environment on electronic absorption spectra; and the application of simple LCAO MO method to simple p systems. An evaluation of the parameters used in simple LCAO MO method is presented. The text notes the usefulness and restrictions of simple LCAO MO method in the interpretation of electronic absorption spectra. The correlation between results of simple MO calculation and spectral data in aromatic hydrocarbons, and correlation between results of simple MO calculation and spectral data in conjugated linear polyenes are discussed. The book also looks at MO methods and the relations between electronic absorption spectra and geometry of molecules, biphenyl, styrene, and related compounds. The text is a good source of data for researchers and chemistry students who want to study electronic absorption spectra.
Book Synopsis Subject Catalog by : Library of Congress
Download or read book Subject Catalog written by Library of Congress and published by . This book was released on 1977 with total page 1038 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1991 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Current Catalog by : National Library of Medicine (U.S.)
Download or read book Current Catalog written by National Library of Medicine (U.S.) and published by . This book was released on 1979 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: First multi-year cumulation covers six years: 1965-70.
Book Synopsis Acid-Base Interactions by : Kashmiri Lal Mittal
Download or read book Acid-Base Interactions written by Kashmiri Lal Mittal and published by VSP. This book was released on 1991-12 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book chronicles the proceedings of the Symposium on Acid-Base Interactions: Relevance to Adhesion Science and Technology held on the occasion of the 75th birthday of Professor Frederick M. Fowkes as a part of the 64th Colloid and Surface Science Symposium held at Lehigh University, June 18--20, 1990. The book contains 22 papers which are divided into three sections. Topics covered include: Acid-base concepts: historical account, current status, and prospects for the future; quantum-mechanical approach to understanding acid-base interactions at metal-polymer interfaces; assessment of acidbase interactions at solid-liquid interfaces; quantitative characterization of the acid-base properties of solvents, polymers and inorganic surfaces (overview by Professor Fowkes); acid-base characteristics of a variety of solid materials (clay minerals, carbon fibers, glass fibers, silicas, metals, polymers); acid-base interactions in wetting; applications of acid-base interactions in a variety of situations, e.g. in the adhesion of polymers to metallic and ceramic substrates, mechanical properties of wood, properties of filled polymers, and behavior of fiber-reinforced polymer composites.
Download or read book National Union Catalog written by and published by . This book was released on 1973 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: Includes entries for maps and atlases.
Book Synopsis Nitro Compounds by : Tadeusz Urbański
Download or read book Nitro Compounds written by Tadeusz Urbański and published by Elsevier. This book was released on 2013-09-03 with total page 559 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nitro Compounds provides information pertinent to the formation, mechanism, synthesis, and structure of nitro compounds. This book discusses the behavioral uniqueness of the nitro group in electric field. Organized into 50 chapters, this book begins with an overview of the amphoterism of HNO3 and its role in the reactions of HNO3 with organic substances. This text then examines the secondary nitroheptane obtained byvapor-phase nitration of n-heptane with nitrogen dioxide. Other chapters consider the explosion hazard of gaseous mixtures in exothermic reactions of oxidation and nitration. This book discusses as well the method used for the investigation of nitration of phenosulphonic acids. The final chapter deals with the relationship between the structure of nitrofuranoic compounds and the fungicidal, bactericidal, and herbicidal activity. This book is a valuable resource for chemists and organic chemists. Chemical researchers who are interested in the mechanism and synthesis of nitro compounds will also find this book useful.
Book Synopsis Essentials of Computational Chemistry by : Christopher J. Cramer
Download or read book Essentials of Computational Chemistry written by Christopher J. Cramer and published by John Wiley & Sons. This book was released on 2004-10-29 with total page 630 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
Book Synopsis Index of Conference Proceedings Received 1974-1978 by : British Library. Lending Division
Download or read book Index of Conference Proceedings Received 1974-1978 written by British Library. Lending Division and published by . This book was released on 1979 with total page 1412 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Bibliographic Guide to Conference Publications by : New York Public Library. Research Libraries
Download or read book Bibliographic Guide to Conference Publications written by New York Public Library. Research Libraries and published by . This book was released on 1976 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vols. for 1975- include publications cataloged by the Research Libraries of the New York Public Library with additional entries from the Library of Congress MARC tapes.
Book Synopsis Strategic Applications of Named Reactions in Organic Synthesis by : Laszlo Kurti
Download or read book Strategic Applications of Named Reactions in Organic Synthesis written by Laszlo Kurti and published by Elsevier. This book was released on 2005-04-29 with total page 808 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kurti and Czako have produced an indispensable tool for specialists and non-specialists in organic chemistry. This innovative reference work includes 250 organic reactions and their strategic use in the synthesis of complex natural and unnatural products. Reactions are thoroughly discussed in a convenient, two-page layout--using full color. Its comprehensive coverage, superb organization, quality of presentation, and wealth of references, make this a necessity for every organic chemist. - The first reference work on named reactions to present colored schemes for easier understanding - 250 frequently used named reactions are presented in a convenient two-page layout with numerous examples - An opening list of abbreviations includes both structures and chemical names - Contains more than 10,000 references grouped by seminal papers, reviews, modifications, and theoretical works - Appendices list reactions in order of discovery, group by contemporary usage, and provide additional study tools - Extensive index quickly locates information using words found in text and drawings
Book Synopsis Philosophical Perspectives in Quantum Chemistry by : Olimpia Lombardi
Download or read book Philosophical Perspectives in Quantum Chemistry written by Olimpia Lombardi and published by Springer Nature. This book was released on 2022-05-16 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the philosophy and the foundations of quantum chemistry. It features chapters written by experts in the field. The contributions analyze quantum chemistry as a discipline, in particular, its relation with both chemistry and physics from the viewpoint of realism and reduction. Coverage includes such topics as quantum chemistry as an “in-between” discipline, molecular structure and quantum mechanics, quantum chemical models, and atoms and molecules in quantum chemistry. The interest of this book is twofold. First, the contributions aim to update and refresh the discussions regarding the foundations of quantum chemistry. Second, they seek to develop new philosophical perspectives that this discipline can suggest to philosophers of science. From its origins, quantum chemistry filled a problematic position in the disciplinary space. On the one hand, it is a branch of theoretical chemistry. On the other hand, it appeals essentially to theoretical tools coming from physics. This peculiar position triggered conceptual questions about its own identity. Inside this book, readers will find updated discussions on the foundations and the philosophy of this complex discipline.
Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Download or read book British Books in Print written by and published by . This book was released on 1985 with total page 2096 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Books in Print Supplement written by and published by . This book was released on 1984 with total page 1774 pages. Available in PDF, EPUB and Kindle. Book excerpt:
