Books in the Reviews in Computational Chemistry series

Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Talking about various fields of computational chemistry, this work focuses on molecular docking, and contains tutorials on spin-orbit coupling and cellular automata modeling.

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 computerΓÇôassisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structureΓÇôactivity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry.  Topics in Volume 31 include:LatticeΓÇôBoltzmann Modeling of Multicomponent Systems:  An IntroductionModeling Mechanochemistry from First PrinciplesMapping Energy Transport Networks in ProteinsThe Role of Computations in CatalysisThe Construction of Ab Initio Based Potential Energy SurfacesUncertainty Quantification for Molecular Dynamics

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).

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

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR).

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

Written in an instructional and nonmathematical style, books in the Reviews in Computational Chemistry series provide access to computational methods often outside a researchera s area of expertise. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry.

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.

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR).

One of the top ten most frequently cited journals, this series 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.

This is the fourteenth volume in the "Reviews in Computational Chemistry" series. The chapters are presented in the form of a tutorial and written in a non-mathmatical style, allowing students and researchers to access computational methods outside their immediate area of expertise.

A series that brings together leading authorities in the field to present chapters 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).

This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in Volume 18 include molecular modeling, computer-assisted molecular design (camd), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (qsar).

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.

A select group of scientists from around the world join in this volume to create unique chapters aimed at both the novice molecular modeler and the expert computational chemist. Chapter 1 shows how molecular modeling of peptidomimetics plays a key role in drug discovery. Specific examples of successful computer-aided drug design are spelled out.

Kurz nach dem sechsten Band erscheint bereits der siebte Band der erfolgreichen Reihe 'Reviews in Computational Chemistry', was deutlich macht, wie schnell die Entwicklungen auf dem Gebiet der 'Computer in der Chemie' vorangehen. Der gute Stil und die klare Sprache garantieren auch bei diesem Band, daß die Artikel gerade für Nicht-Spezialisten verständlich werden.

This a the sixth volume in a series designed to help the chemistry community keep current with the many new developments in computational techniques. Each author approaches a topic with the aim of helping the reader understand the material, solve problems, and locate key references quickly.

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling.

Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. The need for individuals in these fields to understand and stay abreast of recent developments in computational chemistry is paramount.