Reviews in Computational Chemistry, Volume 29

Reviews in Computational Chemistry, Volume 29

Autor: Abby L. Parrill, Kenny B. Lipkowitz
Verlag: Wiley
Ausgabe: 1
Erscheinungsdatum: 2016
ISBN: 9781119103936

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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

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