Reviews in Computational Chemistry, Volume 29

by Abby L. Parrill (Editor), Kenny B. Lipkowitz (Editor)

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

Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle   Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials   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 Protein Structure, Protein Similarity, and Protein Folding

471 pages, Kindle Edition

First published January 29, 2016