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Reviews in Computational Chemistry, Volume 32

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Reviews in Computational Chemistry, Volume 32 is an essential reference that surveys the latest computational chemistry methods and techniques. This volume features contributions from leading experts, covering topics such as global structure optimisation, time-dependent density functional tight binding calculations, non-equilibrium self-assembly, and molecular simulations of microphase formers and deep eutectic solvents. Presented in a non-mathematical, tutorial-based style, it offers accessible background, theory, best practices, and critical literature reviews to aid both newcomers and experienced researchers.
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This book is ideal for computational, theoretical, pharmaceutical and biological chemists, chemical engineers, and researchers in academia and industry, as well as graduate students engaged in molecular modelling and computational chemistry.

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REVIEWS IN COMPUTATIONAL CHEMISTRY

The latest volume in the Reviews in Computational Chemistry series, the invaluable reference to methods and techniques in computational chemistry

Reviews 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 optimisation, 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 modelling 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 modelling, this state-of-the-art resource:

  • Covers topics such as non-deterministic global optimisation (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 modelling software, services, programs, suppliers, and other useful information

Reviews 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 modelling.

Series: Reviews in Computational Chemistry

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  • Reviews in Computational Chemistry, Volume 32
    REVIEWS IN COMPUTATIONAL CHEMISTRY The latest volume in the Reviews in Computational Chemistry series, the invaluable reference to methods and techniques in computational chemistry Reviews 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...
    Hardback
    $60899
    Available
    Ships in 3-4 weeks

Book Details

INFORMATION

ISBN: 9781119625896

Publisher: John Wiley & Sons Inc

Format: Hardback

Date Published: 15 March 2022

Country: United States

Imprint: John Wiley & Sons Inc

Contributors:

  • Edited by Kenny B. Lipkowitz
  • Edited by Abby L. Parrill
  • Edited by Kenny B. Lipkowitz

Audience: Professional and scholarly

DIMENSIONS

Spine width: 10.0mm

Width: 10.0mm

Height: 10.0mm

Weight: 454g

Pages: 256

About the Author

ABBY L. PARRILL, PhD, is Professor of Chemistry in the Department of Chemistry and Dean of the College of Arts and Sciences at the University of Memphis. Her research interests are in bioorganic chemistry, protein modeling, NMR Spectroscopy, and rational ligand design and synthesis. She has given more than 100 presentations and authored numerous papers and books.

KENNY B. LIPKOWITZ, PhD, was one of the founding co-editors of Reviews in Computational Chemistry. He spent 28 years as an academician and then moved to the Office of Naval Research, where he is currently a Program Manager in Computer-Aided Materials Design.

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