Reviews in Computational Chemistry: 29
Abby L. Parrill and Kenneth B. Lipkowitz, "Reviews in Computational Chemistry: 29"
English | ISBN: 1119103932 | 2016 | 480 pages | PDF | 21 MB
English | ISBN: 1119103932 | 2016 | 480 pages | PDF | 21 MB
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