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Annual Reports in Computational Chemistry Ralph A. Wheeler (Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA)

Annual Reports in Computational Chemistry By Ralph A. Wheeler (Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA)

Summary

Provides reviews of important topics in computational chemistry as applied to all chemical disciplines. This title covers topics such as quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings.

Annual Reports in Computational Chemistry Summary

Annual Reports in Computational Chemistry: Volume 8 by Ralph A. Wheeler (Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, 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.

Table of Contents

Section A: Quantum Chemistry (Section Editor: Gregory S. Tschumper) A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table David A. Dixon, David Feller and Kirk A. Peterson Ab Initio Composite Approaches: Potential Energy Surfaces and Excited Electronic States Wanyi Jiang and Angela K. Wilson On The Orthogonality of Orbitals in Subsystem Kohn-Sham Density Functional Theory Yuriy G. Khait and Mark R. Hoffmann Section B: Biological Modeling (Section Editor: Nathan Baker) Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules David M. Rogers, Dian Jiao, Lawrence R. Pratt and Susan B. Rempe A Review of Physics-Based Coarse-Grained Potentials for the Simulations of Protein Structure and Dynamics Hujun Shen, Zhen Xia, Guohui Li and Pengyu Ren Section C: Bioinformatics (Section Editor: Wei Wang) Poisson-Boltzmann Implicit Solvation Models Qin Cai, Jun Wang, Meng-Juei Hsieh, Xiang Ye and Ray Luo

Additional information

NLS9780444594402
9780444594402
044459440X
Annual Reports in Computational Chemistry: Volume 8 by Ralph A. Wheeler (Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA)
New
Paperback
Elsevier Science & Technology
2012-10-01
208
N/A
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