Applied Theoretical Organic Chemistry

Author : Tantillo Dean J
Publisher : World Scientific
ISBN 13 : 1786344106
Total Pages : 624 pages
Book Rating : 4.06/5 ( download)

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Download or read book Applied Theoretical Organic Chemistry written by Tantillo Dean J and published by World Scientific. This book was released on 2018-03-07 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides state-of-the-art information on how studies in applied theoretical organic chemistry are conducted. It highlights the many approaches and tools available to those interested in using computational chemistry to predict and rationalize structures and reactivity of organic molecules. Chapters not only describe theoretical techniques in detail, but also describe recent applications and offer practical advice. Authored by many of the world leaders in the field of applied theoretical chemistry, this book is perfect for both practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research. Contents: Modeling Organic Reactions — General Approaches, Caveats, and Concerns (Stephanie R Hare, Brandi M Hudson and Dean J Tantillo)Overview of Computational Methods for Organic Chemists (Edyta M Greer and Kitae Kwon)Brief History of Applied Theoretical Organic Chemistry (Steven M Bachrach)Solvation (Carlos Silva Lopez and Olalla Nieto Faza)Conformational Searching for Complex, Flexible Molecules (Alexander C Brueckner, O Maduka Ogba, Kevin M Snyder, H Camille Richardson and Paul Ha-Yeon Cheong)NMR Prediction (Kelvin E Jackson and Robert S Paton)Energy Decomposition Analysis and Related Methods (Israel Fernández)Systems with Extensive Delocalization (L Zoppi and K K Baldridge)Modern Treatments of Aromaticity (Judy I-Chia Wu)Weak Intermolecular Interactions (Rajat Maji and Steven E Wheeler)Predicting Reaction Pathways from Reactants (Romain Ramozzi, W M C Sameera and Keiji Morokuma)Unusual Potential Energy Surfaces and Nonstatistical Dynamic Effects (Charles Doubleday)The Distortion/Interaction Model for Analysis of Activation Energies of Organic Reactions (K N Houk, Fang Liu, Yun-Fang Yang and Xin Hong)Spreadsheet-Based Computational Predictions of Isotope Effects (O Maduka Ogba, John D Thoburn and Daniel J O'Leary)Stereoelectronic Effects: Analysis by Computational and Theoretical Methods (Gabriel dos Passos Gomes and Igor Alabugin)pKa Prediction (Yijie Niu and Jeehiun K Lee)Issues Particular to Organometallic Reactions (Gang Lu, Huiling Shao, Humair Omer and Peng Liu)Computationally Modeling Nonadiabatic Dynamics and Surface Crossings in Organic Photoreactions (Arthur Winter)Challenges in Predicting Stereoselectivity (Elizabeth H Krenske) Readership: Practitioners of computational chemistry and synthetic and mechanistic organic chemists curious about applying computational techniques to their research. Keywords: Organic Chemistry;Theoretical Chemistry;Stereoselectivity;NMR Prediction;pKa Prediction;Organic PhotoreactionsReview: Key Features: A particular strength is the mix of theoretical background, informative examples and practical advice providedChapters are authored by many of world leaders in the field of applied theoretical chemistry

Author : William B. Smith
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 216 pages
Book Rating : 4.70/5 ( download)

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Download or read book Introduction to Theoretical Organic Chemistry and Molecular Modelling written by William B. Smith and published by Wiley-VCH. This book was released on 1996-07-11 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Introduction to Theoretical Organic Chemistry" provides an introduction for chemists with a limited mathematical background, yet need a working understanding of quantum chemistry as applied to problems in organic chemistry. This book is unique in that it is written at the level of the advanced undergraduate or beginning graduate student in organic chemistry, whose exposure to theoretical chemistry is relatively recent. It fills a niche in that most books on theoretical organic chemistry are written by theoretical or computational chemists, whereas this book is written by an organic chemist. The book covers molecular modeling computer software, and offers a useful guide to the scope and limitations of each program, along with specific examples of input and output for several of the most popular software. Numerous examples and exercises are provided.

Author :
Publisher :
ISBN 13 :
Total Pages : 213 pages
Book Rating : 4.42/5 ( download)

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Download or read book Theoretical Organic Chemistry written by and published by . This book was released on 1950 with total page 213 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Addy Pross
Publisher : Wiley-Interscience
ISBN 13 :
Total Pages : 320 pages
Book Rating : 4.57/5 ( download)

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Download or read book Theoretical and Physical Principles of Organic Reactivity written by Addy Pross and published by Wiley-Interscience. This book was released on 1995-09-25 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This approach to the general problem of organic reactivity combines classical organic chemistry with new theoretical ideas developed by the author. The text contains a non-mathematical description of the curve crossing model, expressed in the language of qualitative valence bond theory.

Author : Julius Berend Cohen
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.12/5 ( download)

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Download or read book Theoretical Organic Chemistry written by Julius Berend Cohen and published by . This book was released on 1918 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Julius Berend Cohen
Publisher :
ISBN 13 :
Total Pages : 642 pages
Book Rating : 4.37/5 ( download)

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Download or read book Theoretical Organic Chemistry written by Julius Berend Cohen and published by . This book was released on 1913 with total page 642 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author :
Publisher : Academic Press
ISBN 13 : 0128050810
Total Pages : 292 pages
Book Rating : 4.11/5 ( download)

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Download or read book Advances in Physical Organic Chemistry written by and published by Academic Press. This book was released on 2016-10-25 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Physical Organic Chemistry series is the definitive resource for authoritative reviews of work in physical organic chemistry. It aims to provide a valuable source of information not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Its hallmark is a quantitative, molecular level understanding of phenomena across a diverse range of disciplines. Reviews the application of quantitative and mathematical methods to help readers understand chemical problems Provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry Covers organic, organometallic, bioorganic, enzymes, and materials topics Presents the only regularly published resource for reviews in physical organic chemistry Written by authoritative experts who cover a wide range of topics that require a quantitative, molecular-level understanding of phenomena across a diverse range of disciplines

Author : Julius B. Cohen
Publisher :
ISBN 13 :
Total Pages : 604 pages
Book Rating : 4.20/5 ( download)

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Download or read book Theoretical Organic Chemistry written by Julius B. Cohen and published by . This book was released on 1922 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Author : Laszlo Kurti
Publisher : Elsevier
ISBN 13 : 0080575412
Total Pages : 808 pages
Book Rating : 4.14/5 ( download)

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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

Author : Neil E. Jacobsen
Publisher : John Wiley & Sons
ISBN 13 : 0470173343
Total Pages : 640 pages
Book Rating : 4.43/5 ( download)

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Download or read book NMR Spectroscopy Explained written by Neil E. Jacobsen and published by John Wiley & Sons. This book was released on 2007-09-10 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR Spectroscopy Explained : Simplified Theory, Applications and Examples for Organic Chemistry and Structural Biology provides a fresh, practical guide to NMR for both students and practitioners, in a clearly written and non-mathematical format. It gives the reader an intermediate level theoretical basis for understanding laboratory applications, developing concepts gradually within the context of examples and useful experiments. Introduces students to modern NMR as applied to analysis of organic compounds. Presents material in a clear, conversational style that is appealing to students. Contains comprehensive coverage of how NMR experiments actually work. Combines basic ideas with practical implementation of the spectrometer. Provides an intermediate level theoretical basis for understanding laboratory experiments. Develops concepts gradually within the context of examples and useful experiments. Introduces the product operator formalism after introducing the simpler (but limited) vector model.