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Reviews in Computational Chemistry

2017-03-07 Science
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Release : 2017-03-07
Genre : Science
Kind : eBook
Book Rating : 008/5 ( reviews)

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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. This book was released on 2017-03-07. 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, Volume 31

2018-11-06 Science
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Release : 2018-11-06
Genre : Science
Kind : eBook
Book Rating : 024/5 ( reviews)

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Book Synopsis Reviews in Computational Chemistry, Volume 31 by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry, Volume 31 written by Abby L. Parrill. This book was released on 2018-11-06. 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

1995 Chemistry
Download Reviews in Computational Chemistry PDF Online Free

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Release : 1995
Genre : Chemistry
Kind : eBook
Book Rating : 158/5 ( 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 1995. Available in PDF, EPUB and Kindle. Book excerpt: This volume in computational chemistry includes aspects of: theoretical chemistry, physical chemistry, computer graphics in chemistry, molecular structure, and pharmaceutical chemistry.

Reviews in Computational Chemistry, Volume 29

2016-04-11 Science
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Release : 2016-04-11
Genre : Science
Kind : eBook
Book Rating : 932/5 ( reviews)

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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. This book was released on 2016-04-11. 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

Introduction to Computational Chemistry

2016-12-14 Science
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Release : 2016-12-14
Genre : Science
Kind : eBook
Book Rating : 950/5 ( reviews)

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Book Synopsis Introduction to Computational Chemistry by : Frank Jensen

Download or read book Introduction to Computational Chemistry written by Frank Jensen. This book was released on 2016-12-14. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

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