Annual Reports in Computational Chemistry: Volume 9

ISBN-13: 9780444626721 / Angielski / Miękka / 2013 / 114 str.

Ralph Wheeler

Opis

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.

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

Spis treści

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

1. Ligand Steric Descriptors

Jenna A. Bilbrey and Wesley D. Allen

2. Efficient Monomer-Based Quantum Chemistry Methods for Molecular and Ionic Clusters

Leif D. Jacobson, Ryan M. Richard, Ka Un Lao and John M. Herbert

Section B: Bioinformatics (Section Editor: Wei Wang)

3. Atomistic Modeling of Phospho-Peptide Recognition for Modular Domains Chia-en A. Chang and Yu-ming M. Huang