Annual Reports in Computational Chemistry
Edited by- Ralph Wheeler, Department of Chemistry & Biochemistry, University of Oklahoma, Norman, 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.
Audience
Researchers and students interested in computational chemistry
Paperback, 208 Pages
Published: October 2012
Imprint: Elsevier
ISBN: 978-0-444-59440-2
Contents
- Section A: Quantum Chemistry (Section Editor: Gregory S. Tschumper)
- A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table
- Ab Initio
- On The Orthogonality of Orbitals in Subsystem Kohn-Sham Density Functional Theory
- Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules
- A Review of Physics-Based Coarse-Grained Potentials for the Simulations of Protein Structure and Dynamics
- Poisson-Boltzmann Implicit Solvation Models
Qin Cai, Jun Wang, Meng-Juei Hsieh, Xiang Ye and Ray Luo
David A. Dixon, David Feller and Kirk A. Peterson Composite Approaches: Potential Energy Surfaces and Excited Electronic StatesWanyi Jiang and Angela K. Wilson Yuriy G. Khait and Mark R. Hoffmann Section B: Biological Modeling (Section Editor: Nathan Baker)David M. Rogers, Dian Jiao, Lawrence R. Pratt and Susan B. Rempe Hujun Shen, Zhen Xia, Guohui Li and Pengyu Ren Section C: Bioinformatics (Section Editor: Wei Wang)
