Reviews in Computational Chemistry, Volume 19

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Publisher : John Wiley & Sons
ISBN 13 : 0471466646
Total Pages : 419 pages
Book Rating : 4.4/5 (714 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 19 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 19 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-10-21 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Reviews in Computational Chemistry

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Author :
Publisher : Wiley-VCH
ISBN 13 : 0471678848
Total Pages : 496 pages
Book Rating : 4.4/5 (716 download)

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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 and published by Wiley-VCH. This book was released on 2004-08-16 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt: THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. TOPICS COVERED IN VOLUME 20 INCLUDE VALENCE THEORY, ITS HISTORY, FUNDAMENTALS, AND APPLICATIONS; MODELING OF SPIN-FORBIDDEN REACTIONS; CALCULATION OF THE ELECTRONIC SPECTRA OF LARGE MOLECULES; SIMULATING CHEMICAL WAVES AND PATTERNS; FUZZY SOFT-COMPUTING METHODS AND THEIR APPLICATIONS IN CHEMISTRY; AND DEVELOPMENT OF COMPUTATIONAL MODELS FOR ENZYMES, TRANSPORTERS, CHANNELS, AND RECEPTORS RELEVANT TO ADME/TOX. 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 MODELING "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 22

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Publisher : John Wiley & Sons
ISBN 13 : 0471780359
Total Pages : 391 pages
Book Rating : 4.4/5 (717 download)

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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 and published by John Wiley & Sons. This book was released on 2006-02-10 with total page 391 pages. 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 15

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 0470126191
Total Pages : 364 pages
Book Rating : 4.4/5 (71 download)

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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 and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 364 pages. 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

Reviews in Computational Chemistry, Volume 5

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Publisher : John Wiley & Sons
ISBN 13 : 0470126094
Total Pages : 482 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 5 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 5 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Reviews in Computational Chemistry, Volume 2

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Publisher : John Wiley & Sons
ISBN 13 : 047012606X
Total Pages : 547 pages
Book Rating : 4.4/5 (71 download)

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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 and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 547 pages. 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 16

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Publisher : John Wiley & Sons
ISBN 13 : 0470126213
Total Pages : 370 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 16 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 16 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Reviews in Computational Chemistry, Volume 1

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 0470126051
Total Pages : 443 pages
Book Rating : 4.4/5 (71 download)

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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 and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 443 pages. 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, Volume 26

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Publisher : John Wiley & Sons
ISBN 13 : 0470399538
Total Pages : 570 pages
Book Rating : 4.4/5 (73 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 26 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 26 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2008-11-19 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Reviews in Computational Chemistry, Volume 21

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Publisher : John Wiley & Sons
ISBN 13 : 0471720887
Total Pages : 475 pages
Book Rating : 4.4/5 (717 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 21 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 21 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2005-05-06 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS. 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 IV

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Publisher : Wiley-VCH
ISBN 13 : 9781560816201
Total Pages : 280 pages
Book Rating : 4.8/5 (162 download)

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

Download or read book Reviews in Computational Chemistry IV written by Kenny B. Lipkowitz and published by Wiley-VCH. This book was released on 1993-01-01 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Reviews in Computational Chemistry

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Publisher :
ISBN 13 :
Total Pages : 496 pages
Book Rating : 4.X/5 (4 download)

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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 and published by . This book was released on 1990 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Reviews in Computational Chemistry, Volume 27

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Publisher : John Wiley & Sons
ISBN 13 : 0470890894
Total Pages : 515 pages
Book Rating : 4.4/5 (78 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 27 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 27 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2010-09-23 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Volume 27 covers brittle fracture, molecular detailed simulations of lipid bilayers, semiclassical bohmian dynamics, dissipative particle dynamics, trajectory-based rare event simulations, and understanding metal/metal electrical contact conductance from the atomic to continuum scales. Also included is a chapter on career opportunities in computational chemistry and an appendix listing the e-mail addresses of more than 2500 people in that discipline. 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

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 1119356008
Total Pages : 392 pages
Book Rating : 4.1/5 (193 download)

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Book Synopsis Reviews in Computational Chemistry by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2017-03-07 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Reviews in Computational Chemistry

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Publisher : John Wiley & Sons
ISBN 13 : 1119518059
Total Pages : 352 pages
Book Rating : 4.1/5 (195 download)

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Book Synopsis Reviews in Computational Chemistry by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2018-10-15 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Reviews in Computational Chemistry, Volume 29

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Publisher : John Wiley & Sons
ISBN 13 : 1119103932
Total Pages : 486 pages
Book Rating : 4.1/5 (191 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 29 by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry, Volume 29 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2016-04-11 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 29 include: Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials Science: Recent Progress and Emerging Applications Discovering New Materials via a priori Crystal Structure Prediction Introduction to Maximally Localized Wannier Functions Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding

Reviews in Computational Chemistry, Volume 20

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Publisher : John Wiley & Sons
ISBN 13 : 0471678848
Total Pages : 485 pages
Book Rating : 4.4/5 (716 download)

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Book Synopsis Reviews in Computational Chemistry, Volume 20 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 20 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2004-08-16 with total page 485 pages. Available in PDF, EPUB and Kindle. Book excerpt: THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. TOPICS COVERED IN VOLUME 20 INCLUDE VALENCE THEORY, ITS HISTORY, FUNDAMENTALS, AND APPLICATIONS; MODELING OF SPIN-FORBIDDEN REACTIONS; CALCULATION OF THE ELECTRONIC SPECTRA OF LARGE MOLECULES; SIMULATING CHEMICAL WAVES AND PATTERNS; FUZZY SOFT-COMPUTING METHODS AND THEIR APPLICATIONS IN CHEMISTRY; AND DEVELOPMENT OF COMPUTATIONAL MODELS FOR ENZYMES, TRANSPORTERS, CHANNELS, AND RECEPTORS RELEVANT TO ADME/TOX. 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 MODELING "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