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Annual Reports in Computational Chemistry de Ralph A. Wheeler

Annual Reports in Computational Chemistry

Editat de Ralph A. Wheeler
en Limba Engleză Paperback – oct 2012
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.


  • 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
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Specificații

ISBN-13: 9780444594402
ISBN-10: 044459440X
Pagini: 206
Dimensiuni: 152 x 229 x 11 mm
Greutate: 0.28 kg
Ediția:New.
Editura: ELSEVIER BV

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 Table David A. Dixon, David Feller and Kirk A. Peterson
  2. Ab Initio Composite Approaches: Potential Energy Surfaces and Excited Electronic States Wanyi Jiang and Angela K. Wilson
  3. 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)
  4. Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules David 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 Dynamics Hujun Shen, Zhen Xia, Guohui Li and Pengyu Ren
    Section C: Bioinformatics (Section Editor: Wei Wang)
  6. Poisson-Boltzmann Implicit Solvation Models Qin Cai, Jun Wang, Meng-Juei Hsieh, Xiang Ye and Ray Luo

Descriere

Descriere de la o altă ediție sau format:
Presents critical reviews of important topics in computational chemistry as applied to various chemical disciplines. This title covers such topics as quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings, focusing on the advances in the field.