Annual Reports in Computational Chemistry

Edited by

  • Ralph Wheeler, Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA

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.
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Researchers and students interested in computational chemistry


Book information

  • Published: October 2013
  • Imprint: ELSEVIER
  • ISBN: 978-0-444-62672-1

Table of Contents

Section A: Quantum Chemistry (Section Editor: Gregory S. Tschumper)

  1. Ligand Steric Descriptors
  2. Jenna A. Bilbrey and Wesley D. Allen

  3. Efficient Monomer-Based Quantum Chemistry Methods for Molecular and Ionic Clusters
  4. Leif D. Jacobson, Ryan M. Richard, Ka Un Lao and John M. Herbert

    Section B: Bioinformatics (Section Editor: Wei Wang)

  5. Atomistic Modeling of Phospho-Peptide Recognition for Modular Domains

    Chia-en A. Chang and Yu-ming M. Huang