Böcker i Reviews in Computational Chemistry-serien

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.

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.

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.

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.

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.

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 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 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.

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.

REVIEWS IN COMPUTATIONAL CHEMISTRYTHE LATEST VOLUME IN THE REVIEWS IN COMPUTATIONAL CHEMISTRY SERIES, THE INVALUABLE REFERENCE TO METHODS AND TECHNIQUES IN COMPUTATIONAL CHEMISTRYReviews in Computational Chemistry reference texts assist researchers in selecting and applying new computational chemistry methods to their own research. Bringing together writings from leading experts in various fields of computational chemistry, Volume 32 covers topics including global structure optimization, time-dependent density functional tight binding calculations, non-equilibrium self-assembly, cluster prediction, and molecular simulations of microphase formers and deep eutectic solvents. In keeping with previous books in the series, Volume 32 uses a non-mathematical style and tutorial-based approach that provides students and researchers with easy access to computational methods outside their area of expertise.The chapters comprising Volume 32 are connected by two themes: methods that can be broadly applied to a variety of systems, and special considerations required when modeling specific system types. Each in-depth chapter contains background and theory, strategies for using the methods correctly, mini-tutorials and best practices, and critical literature reviews highlighting advanced applications. Essential reading for both newcomers and experts in the area of molecular modeling, this state-of-the-art resource:* Covers topics such as non-deterministic global optimization (NDGO) approaches and excited-state dynamics calculations* Contains a detailed overview of deep eutectic solvents (DESs) and simulation methods* Presents methodologies for investigating chemical systems that form microphases with periodic morphologies such as lamellae and cylinders* Features step-by-step tutorials on applying techniques to probe and understand the chemical dynamics exhibited in a system* Includes detailed subject indices on each volume in the series and up-to-date compendiums of molecular modeling software, services, programs, suppliers, and other useful informationReviews in Computational Chemistry, Volume 32 is a must-have guide for computational chemists, theoretical chemists, pharmaceutical chemists, biological chemists, chemical engineers, researchers in academia and industry, and graduate students involved in molecular modeling.