Similarity Models In Organic Chemistry Biochemistry And Related Fields

Author : Romuald I. Zalewski
Publisher : Elsevier Science & Technology
ISBN 13 :
Total Pages : 718 pages
Book Rating : 4.73/5 ( download)

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Download or read book Similarity Models in Organic Chemistry, Biochemistry, and Related Fields written by Romuald I. Zalewski and published by Elsevier Science & Technology. This book was released on 1991 with total page 718 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since Hammett devised the rho-sigma equation in 1937, the application of similarity models through linear free energy relationships (correlation analysis) has become increasingly important for systematising the quantitative data of organic chemistry and related fields. More than twelve years have elapsed since the last appearance of a multi-author, international monograph on this subject, during which time there have been substantial developments. Sophisticated chemometric techniques, such as principal component analysis, have been added to the basic statistical techniques of simple and multiple regression. The interaction with quantum mechanics, particularly in the form of ab initio molecular orbital calculations, has also developed considerably. Such matters are dealt with in the various chapters of this book, not only in connection with main-stream areas of substituent and solvent effects on reactivity and on spectroscopic properties, but also in connection with topics as diverse as gas chromatography, organic electrochemistry, biological activity, and food chemistry. The book will be of interest to a wide range of organic, physical organic, and physical chemists; to medicinal chemists, environmental scientists, biochemists, and analytical chemists; and to chemometricians in general.

Author : P.M. Dean
Publisher : Springer Science & Business Media
ISBN 13 : 9401113505
Total Pages : 358 pages
Book Rating : 4.02/5 ( download)

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Download or read book Molecular Similarity in Drug Design written by P.M. Dean and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular similarity searching is fast becoming a key tool in organic chemistry. In this book, the editor has brought together an international team of authors, each working at the forefront of this technology, providing a timely and concise overview of current research. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.

Author : Felix A. Carroll
Publisher : John Wiley & Sons
ISBN 13 : 1118210883
Total Pages : 1272 pages
Book Rating : 4.88/5 ( download)

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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 1272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps to develop new perspectives and a deeper understanding of organic chemistry Instructors and students alike have praised Perspectives on Structure and Mechanism in Organic Chemistry because it motivates readers to think about organic chemistry in new and exciting ways. Based on the author's first hand classroom experience, the text uses complementary conceptual models to give new perspectives on the structures and reactions of organic compounds. The first five chapters of the text discuss the structure and bonding of stable molecules and reactive intermediates. These are followed by a chapter exploring the methods that organic chemists use to study reaction mechanisms. The remaining chapters examine different types of acid-base, substitution, addition, elimination, pericyclic, and photochemical reactions. This Second Edition has been thoroughly updated and revised to reflect the latest findings in physical organic chemistry. Moreover, this edition features: New references to the latest primary and review literature More study questions to help readers better understand and apply new concepts in organic chemistry Coverage of new topics, including density functional theory, quantum theory of atoms in molecules, Marcus theory, molecular simulations, effect of solvent on organic reactions, asymmetric induction in nucleophilic additions to carbonyl compounds, and dynamic effects on reaction pathways The nearly 400 problems in the text do more than allow students to test their understanding of the concepts presented in each chapter. They also encourage readers to actively review and evaluate the chemical literature and to develop and defend their own ideas. With its emphasis on complementary models and independent problem-solving, this text is ideal for upper-level undergraduate and graduate courses in organic chemistry.

Author : Ramón Carbó
Publisher : Springer Science & Business Media
ISBN 13 : 9780792333098
Total Pages : 342 pages
Book Rating : 4.98/5 ( download)

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Download or read book Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches written by Ramón Carbó and published by Springer Science & Business Media. This book was released on 1995-07-31 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Similarities in chemical reactivity depend on molecular properties, and are ultimately dependent on the similarities of electronic structures. Fundamentally, quantum chemical similarities are manifested in similarities of molecular behaviour. This book covers both the quantum chemical origins and the methods of phenomenological descriptions of molecular similarity. The emphasis on reactivity is a unique feature. The exposition of computational methods and the prediction of reactivities, as well as the description of actual computer programs constitute important aspects of the book. Specific applications in drug design and techniques for the interpretation of the roles of functional groups in reactivity are of interest in molecular engineering. The selection of topics provides a detailed and balanced introduction to the field of similarity-based assessment of chemical reactivity. For researchers and graduate students in both fundamental chemistry and applied fields, such as biochemistry, pharmacology and drug design.

Author : C. Párkányi
Publisher : Elsevier
ISBN 13 : 0080542727
Total Pages : 637 pages
Book Rating : 4.20/5 ( download)

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Download or read book Theoretical Organic Chemistry written by C. Párkányi and published by Elsevier. This book was released on 1997-12-09 with total page 637 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empirical science. Throughout the twentieth century, the emphasis has been continually shifting to a more theoretical approach. Today, theoretical organic chemistry is a distinct area of research, with strong links to theoretical physical chemistry, quantum chemistry, computational chemistry, and physical organic chemistry. The objective in this volume has been to provide a cross-section of a number of interesting topics in theoretical organic chemistry, starting with a detailed account of the historical development of this discipline and including topics devoted to quantum chemistry, physical properties of organic compounds, their reactivity, their biological activity, and their excited-state properties.

Author : David J. Livingstone
Publisher : John Wiley & Sons
ISBN 13 : 0470851538
Total Pages : 372 pages
Book Rating : 4.31/5 ( download)

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Download or read book A Practical Guide to Scientific Data Analysis written by David J. Livingstone and published by John Wiley & Sons. This book was released on 2009-12-21 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inspired by the author's need for practical guidance in the processes of data analysis, A Practical Guide to Scientific Data Analysis has been written as a statistical companion for the working scientist. This handbook of data analysis with worked examples focuses on the application of mathematical and statistical techniques and the interpretation of their results. Covering the most common statistical methods for examining and exploring relationships in data, the text includes extensive examples from a variety of scientific disciplines. The chapters are organised logically, from planning an experiment, through examining and displaying the data, to constructing quantitative models. Each chapter is intended to stand alone so that casual users can refer to the section that is most appropriate to their problem. Written by a highly qualified and internationally respected author this text: Presents statistics for the non-statistician Explains a variety of methods to extract information from data Describes the application of statistical methods to the design of “performance chemicals” Emphasises the application of statistical techniques and the interpretation of their results Of practical use to chemists, biochemists, pharmacists, biologists and researchers from many other scientific disciplines in both industry and academia.

Author : F. Serratosa
Publisher : Elsevier
ISBN 13 : 0080538142
Total Pages : 567 pages
Book Rating : 4.43/5 ( download)

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Download or read book Organic Chemistry in Action written by F. Serratosa and published by Elsevier. This book was released on 1996-05-09 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first edition of this book was welcomed with great enthusiasm by teachers and students. It therefore seemed opportune to publish a second, revised, updated and extended edition. Unfortunately, Professor Fèlix Serratosa died before he could complete this task. Some new material has been added, the more significant changes being:. The book has been restructured into two well-differentiated sections: Part A, dealing with conventional organic synthesis, and Part B, devoted exclusively to computer-assisted organic synthesis and based on the former Chapter 11 and Appendices 2, 3 and 4 of the first edition. As decided in advance, Part B was to be the sole responsibility of Dr. Josep Xicart, who prepared the first versions of the CHAOS (Computerisation and Heuristics Applied to Organic Synthesis) program under the direction of Professor Serratosa.

Author : M. Rubiralta
Publisher : Elsevier
ISBN 13 : 148329093X
Total Pages : 460 pages
Book Rating : 4.35/5 ( download)

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Download or read book Piperidine written by M. Rubiralta and published by Elsevier. This book was released on 2013-10-22 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: Piperidine, one of the simplest heterocyclic systems, is found in nature as part of several alkaloid compounds. Both natural and especially unnatural piperidine derivatives present interesting pharmacological properties. From a structural viewpoint, the conformation of piperidine has been the subject of one of the fiercest controversies in structural organic chemistry in the last few years. As a result of the combined use of several spectroscopic techniques, the conformational behavior of most types of piperidine-related compounds has been clarified. Some piperidine derivatives, namely, N-acylpiperidine, &agr;-cyanopiperidines and piperidones are extremely useful and versatile intermediates in organic synthesis. The present book offers an updated and integrated view of all these topics. The aim of the book is twofold. Firstly, to reveal to the reader the combined use of different spectroscopic data, to facilitate an insight into the structure and conformational properties of any new piperidine derivative. Secondly, to establish a consistent link between conformation and reactivity for a variety of piperidine derivatives. Such a bridge is a key step for stereocontrol when dealing with the application of piperidine derivatives as synthetic intermediates. The book is conceived so that most of the information comes from visual inspection of the very abundant graphic material. An exhaustive subject index of more than 450 entries is also included.

Author : J.H.P. Tyman
Publisher : Elsevier
ISBN 13 : 0080542190
Total Pages : 721 pages
Book Rating : 4.95/5 ( download)

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Download or read book Synthetic and Natural Phenols written by J.H.P. Tyman and published by Elsevier. This book was released on 1996-08-21 with total page 721 pages. Available in PDF, EPUB and Kindle. Book excerpt: The chemistry of phenols tends to be ignored in organic chemical textbooks and to be lost amongst the many classes of functional derivatives. This volume is not intended to provide a textbook approach but rather to give an account of developments in phenol chemistry in the last two decades. Features of this book: • Numerous phenolic systems have been covered in detail, e.g. phenolic propanoids. • The emphasis throughout has been on synthesis, on what can be achieved by the use of phenolic intermediates and in the construction of phenolic end products. • Many chapters enable the reader to refer to the original literature wherever possible. • Various chapters provide a fund of tutorial material and problems for undergraduate studies and further, which will encourage perusal of the literature. Some 2000 references to applied and academic papers are given. Phenols are ubiquitous substances and now it is more widely accepted that there are pros and cons connected with their usage. The pros for compounds are well-known and are illustrated by perennial panaceas such as aspirin, paracetamol, codeine, etc. The cons are less obvious because they are also materials deeply entrenched in our standard of living and in most cases inherent hazards have only recently come to light. The book will be of interest to postgraduate students in academic and industrial work.

Author : Christian Reichardt
Publisher : John Wiley & Sons
ISBN 13 : 3527642137
Total Pages : 722 pages
Book Rating : 4.37/5 ( download)

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Download or read book Solvents and Solvent Effects in Organic Chemistry written by Christian Reichardt and published by John Wiley & Sons. This book was released on 2011-08-04 with total page 722 pages. Available in PDF, EPUB and Kindle. Book excerpt: Now in its 4th edition, this book remains the ultimate reference for all questions regarding solvents and solvent effects in organic chemistry. Retaining its proven concept, there is no other book which covers the subject in so much depth, the handbook is completely updated and contains 15% more content, including new chapters on "Solvents and Green chemistry", "Classification of Solvents by their Environmental Impact", and "Ionic Liquids". An essential part of every organic chemist's library.