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Reviews in Computational Chemistry, Volume 22

2006-02-10 Science
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Release : 2006-02-10
Genre : Science
Kind : eBook
Book Rating : 359/5 ( reviews)

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Book Synopsis Reviews in Computational Chemistry, Volume 22 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 22 written by Kenny B. Lipkowitz. This book was released on 2006-02-10. Available in PDF, EPUB and Kindle. Book excerpt: 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

Reviews in Computational Chemistry, Volume 1

2009-09-22 Science
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Release : 2009-09-22
Genre : Science
Kind : eBook
Book Rating : 051/5 ( reviews)

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Book Synopsis Reviews in Computational Chemistry, Volume 1 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 1 written by Kenny B. Lipkowitz. This book was released on 2009-09-22. Available in PDF, EPUB and Kindle. Book excerpt: This book is an account of current developments in computational chemistry, a new multidisciplinary area of research. Experts in computational chemistry, the editors use and develop techniques for computer-assisted molecular design. The core of the text itself deals with techniques for computer-assisted molecular design. The book is suitable for both beginners and experts. In addition, protocols and software for molecular recognition and the relationship between structure and biological activity of drug molecules are discussed in detail. Each chapter includes a mini-tutorial, as well as discussion of advanced topics. Special Feature: The appendix to this book contains an extensive list of available software for molecular modeling.

Reviews in Computational Chemistry

2003-10-21 Science
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Release : 2003-10-21
Genre : Science
Kind : eBook
Book Rating : 646/5 ( reviews)

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Book Synopsis Reviews in Computational Chemistry by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz. This book was released on 2003-10-21. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field. The chapters in this book series are written to teach the newcomer and update the expert. Topics include computational chemistry, molecular modeling, computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). Detailed author and subject indices on each volume help the reader to quickly discover particular topics. The chapters are approached in a tutorial manner and written in a non-mathematical style allowing students and researchers to access computational methods outside their immediate area of expertise.

Reviews in Computational Chemistry, Volume 2

2009-09-22 Science
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Release : 2009-09-22
Genre : Science
Kind : eBook
Book Rating : 06X/5 ( reviews)

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Book Synopsis Reviews in Computational Chemistry, Volume 2 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 2 written by Kenny B. Lipkowitz. This book was released on 2009-09-22. Available in PDF, EPUB and Kindle. Book excerpt: This second volume of the series 'Reviews in Computational Chemistry' explores new applications, new methodologies, and new perspectives. The topics covered include conformational analysis, protein folding, force field parameterizations, hydrogen bonding, charge distributions, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry literature. Methodologies described include conformational search strategies, distance geometry, molecular mechanics, molecular dynamics, ab initio and semiempirical molecular orbital calculations, and quantitative structure-activity relationships (QSAR) using topological and electronic descriptors. A compendium of molecular modeling software will help users select the computational tools they need. Each chapter in 'Reviews in Computational Chemistry' serves as a brief tutorial for organic, physical, pharmaceutical, and biological chemists new to the field. Practitioners will be interested in the recent advances.

Reviews in Computational Chemistry, Volume 15

2009-09-22 Science
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Release : 2009-09-22
Genre : Science
Kind : eBook
Book Rating : 191/5 ( reviews)

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Book Synopsis Reviews in Computational Chemistry, Volume 15 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 15 written by Kenny B. Lipkowitz. This book was released on 2009-09-22. Available in PDF, EPUB and Kindle. Book excerpt: THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society

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