Annual Reports in Computational Chemistry - 1st Edition - ISBN: 9780444626721, 9780444626684

Annual Reports in Computational Chemistry, Volume 9

1st Edition

Editors: Ralph Wheeler
eBook ISBN: 9780444626684
Paperback ISBN: 9780444626721
Imprint: Elsevier
Published Date: 18th October 2013
Page Count: 128
Tax/VAT will be calculated at check-out Price includes VAT (GST)
Price includes VAT (GST)

Easy - Download and start reading immediately. There’s no activation process to access eBooks; all eBooks are fully searchable, and enabled for copying, pasting, and printing.

Flexible - Read on multiple operating systems and devices. Easily read eBooks on smart phones, computers, or any eBook readers, including Kindle.

Open - Buy once, receive and download all available eBook formats, including PDF, EPUB, and Mobi (for Kindle).

Institutional Access

Secure Checkout

Personal information is secured with SSL technology.

Free Shipping

Free global shipping
No minimum order.

Table of Contents

  • Contributors
  • Preface
  • Section A: Quantum Chemistry
    • Chapter One. Ligand Steric Descriptors
      • Abstract
      • 1 Introduction
      • 2 Cone Angles
      • 3 Solid Angles
      • 4 Conclusion
      • References
    • Chapter Two. Efficient Monomer-Based Quantum Chemistry Methods for Molecular and Ionic Clusters
      • Abstract
      • 1 Introduction and Overview
      • 2 Generalized Many-Body Expansion
      • 3 Symmetry-Adapted Perturbation Theory for Clusters
      • 4 XPol + SAPT with Empirical Dispersion
      • 5 Conclusions and Outlook
      • Acknowledgements
      • References
  • Section B: Bioinformatics
    • Chapter Three. Atomistic Modelling of Phosphopeptide Recognition for Modular Domains
      • Abstract
      • 1 Introduction
      • 2 Methods
      • 3 Examples of Modelling of Phosphopeptide and Modular Domain Binding
      • 4 Concluding Remarks
  • Acknowledgements
  • References
  • Index
  • Cumulative Index


Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.

Key Features

  • Quantum chemistry
  • Molecular mechanics
  • Force fields
  • Chemical education and applications in academic and industrial settings


Researchers and students interested in computational chemistry


No. of pages:
© Elsevier 2013
eBook ISBN:
Paperback ISBN:

About the Editors

Ralph Wheeler Editor

Affiliations and Expertise

Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA