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Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 8

Editat de Ralph A. Wheeler
en Limba Engleză Paperback – 30 sep 2012
Annual Reports in Computational Chemistryprovides 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.


  • Annual Reports in Computational Chemistryprovides 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
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Specificații

ISBN-13: 9780444594402
ISBN-10: 044459440X
Pagini: 208
Dimensiuni: 152 x 229 x 11 mm
Greutate: 0.28 kg
Ediția:New.
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry


Public țintă

Researchers and students interested in computational chemistry

Cuprins

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