Reviews In Computational Chemistry Volume 22

Author : Kenny B. Lipkowitz,Thomas R. Cundari,Valerie J. Gillet,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 391 pages
File Size : 52,9 Mb
Release : 2006-02-10
Category : Science
ISBN : 9780471780359

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Reviews in Computational Chemistry, Volume 22 by Kenny B. Lipkowitz,Thomas R. Cundari,Valerie J. Gillet,Donald B. Boyd Pdf

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

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 302 pages
File Size : 49,7 Mb
Release : 2009-09-22
Category : Science
ISBN : 9780470126080

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Reviews in Computational Chemistry, Volume 4 by Kenny B. Lipkowitz,Donald B. Boyd Pdf

This volume in the series brings together reknowned experts in the field to present the reader with an account of the latest developments in quantum mechanics, molecular dynamics, and the teaching of computational chemistry. There are so many developments in the field of computational chemistry that it is difficult to keep track of them. The series was established to review the high volume of developments in the field. Rather than create a traditional article, each author approaches a topic to enable the reader to understand and solve problems and locate key references quickly. Each article has tutorial value. An updated compendium of software for molecular modeling appears as an appendix as in previous volumes. To the editors' knowledge, this is the most complete listing of sources of software for computational chemistry anywhere.

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : Wiley-VCH
Page : 544 pages
File Size : 50,8 Mb
Release : 2009-09-22
Category : Science
ISBN : 9780470126066

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Reviews in Computational Chemistry by Kenny B. Lipkowitz,Donald B. Boyd Pdf

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.

Author : Kenny B. Lipkowitz,Raima Larter,Thomas R. Cundari,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 419 pages
File Size : 48,5 Mb
Release : 2003-10-21
Category : Science
ISBN : 9780471466642

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Reviews in Computational Chemistry, Volume 19 by Kenny B. Lipkowitz,Raima Larter,Thomas R. Cundari,Donald B. Boyd Pdf

Auch Band 19 dieser seit Jahren bewährten und erfolgreichen Reihe führt Neueinsteiger in moderne Forschungsgebiete der Computerchemie ein und hilft Fachleuten, auf dem Laufenden zu bleiben. - international renommierte Fachleute diskutieren Themen aus den Bereichen Molecular modeling, Quantenchemie, computergestütztes Moleküldesign (CAMD), Molekülmechanik und -dynamik sowie QSAR (Quantitative Struktur-Reaktivitäts-Beziehungen) - ausführliche Autoren- und Sachregister erleichtern die Orientierung - Beiträge sind allgemein verständlich geschrieben und enthalten nur das notwendige Minimum an mathematischen Formalismen; dadurch ist die Reihe auch geeignet für Leser, die sich nicht hauptsächlich mit den genannten Fachgebieten beschäftigen

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 482 pages
File Size : 42,8 Mb
Release : 2009-09-22
Category : Science
ISBN : 9780470126097

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Reviews in Computational Chemistry, Volume 5 by Kenny B. Lipkowitz,Donald B. Boyd Pdf

Führende Experten auf dem Gebiet der Computer-Chemie präsentieren in dem fünften Band der erfolgreichen Reihe 'Reviews in Computational Chemistry' die neuesten Entwicklungen. Um den interessierten Chemiker auf dem aktuellen Stand zu halten, ist der Reihe im Anhang eine Liste mit der Software zum Thema beigefügt

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 364 pages
File Size : 53,6 Mb
Release : 2009-09-22
Category : Science
ISBN : 9780470126196

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Reviews in Computational Chemistry, Volume 15 by Kenny B. Lipkowitz,Donald B. Boyd Pdf

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

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 443 pages
File Size : 41,5 Mb
Release : 2009-09-22
Category : Science
ISBN : 9780470126059

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Reviews in Computational Chemistry, Volume 1 by Kenny B. Lipkowitz,Donald B. Boyd Pdf

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.

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : Wiley-VCH
Page : 280 pages
File Size : 41,6 Mb
Release : 1993-01-01
Category : Chemistry
ISBN : 1560816201

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Reviews in Computational Chemistry IV by Kenny B. Lipkowitz,Donald B. Boyd Pdf

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : Unknown
Page : 419 pages
File Size : 55,5 Mb
Release : 1990
Category : Chemistry
ISBN : 3527278451

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Reviews in Computational Chemistry by Kenny B. Lipkowitz,Donald B. Boyd Pdf

Author : Kenny B. Lipkowitz,Thomas R. Cundari,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 570 pages
File Size : 41,8 Mb
Release : 2008-11-19
Category : Science
ISBN : 9780470399538

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Reviews in Computational Chemistry, Volume 26 by Kenny B. Lipkowitz,Thomas R. Cundari,Donald B. Boyd Pdf

Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. This series is essential in keeping those individuals involved in these fields abreast of recent developments in computational chemistry.

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 370 pages
File Size : 51,7 Mb
Release : 2009-09-22
Category : Science
ISBN : 9780470126219

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Reviews in Computational Chemistry, Volume 16 by Kenny B. Lipkowitz,Donald B. Boyd Pdf

Volume 16 Reviews In Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd The focus of this book is on methods useful in molecular design. Tutorials and reviews span (1) methods for designing compound libraries for combinatorial chemistry and high throughput screening, (2) the workings of artificial neural networks and their use in chemistry, (3) force field methods for modeling materials and designing new substances, and (4) free energy perturbation methods of practical usefulness in ligand design. From Reviews of the Series "This series spans all the subdisciplines in the field, from techniques to practical applications, and includes reviews from many of the acknowledged leaders in the field. the reviews cross many subdisciplines yet are both general enough to be of wide interest while including detailed information of use to workers in particular subdisciplines." -Journal of the American Chemical Society

Author : Abby L. Parrill,Kenny B. Lipkowitz
Publisher : John Wiley & Sons
Page : 392 pages
File Size : 44,6 Mb
Release : 2017-03-16
Category : Science
ISBN : 9781119356042

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Reviews in Computational Chemistry by Abby L. Parrill,Kenny B. Lipkowitz Pdf

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise

Author : Abby L. Parrill,Kenny B. Lipkowitz
Publisher : John Wiley & Sons
Page : 368 pages
File Size : 53,7 Mb
Release : 2018-11-06
Category : Science
ISBN : 9781119518020

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Reviews in Computational Chemistry, Volume 31 by Abby L. Parrill,Kenny B. Lipkowitz Pdf

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics

Author : Abby L. Parrill,Kenny B. Lipkowitz
Publisher : John Wiley & Sons
Page : 404 pages
File Size : 44,8 Mb
Release : 2017-04-10
Category : Science
ISBN : 9781119355434

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Reviews in Computational Chemistry, Volume 30 by Abby L. Parrill,Kenny B. Lipkowitz Pdf

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise

Author : Kenny B. Lipkowitz,Thomas R. Cundari,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 518 pages
File Size : 43,6 Mb
Release : 2007-02-26
Category : Science
ISBN : 9780470116432

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Reviews in Computational Chemistry, Volume 23 by Kenny B. Lipkowitz,Thomas R. Cundari,Donald B. Boyd Pdf

THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. Volume 23 COVERS LINEAR SCALING METHODS FOR QUANTUM CHEMISTRY, VARIATIONAL TRANSITION STATE THEORY, COARSE GRAIN MODELING OF POLYMERS, SUPPORT VECTOR MACHINES, CONICAL INTERSECTIONS, ANALYSIS OF INFORMATION CONTENT USING SHANNON ENTROPY, AND HISTORICAL INSIGHTS INTO HOW COMPUTING EVOLVED IN THE PHARMACEUTICAL INDUSTRY. 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