Annual Reports in Computational Chemistry
-10%
portes grátis
Annual Reports in Computational Chemistry
Wheeler, Ralph A. (Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA)
Elsevier Science & Technology
10/2012
208
Mole
Inglês
9780444594402
15 a 20 dias
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.
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
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
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.
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
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
