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Annual Reports in Computational Chemistry de Ralph A. Wheeler

Annual Reports in Computational Chemistry: Annual Reports in Computational Chemistry, cartea 10

Editat de Ralph A. Wheeler
en Limba Engleză Paperback – 3 dec 2014
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.


  • Quantum chemistry
  • Molecular mechanics
  • Force fields
  • Chemical education and applications in academic and industrial settings
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Specificații

ISBN-13: 9780444633781
ISBN-10: 0444633782
Pagini: 236
Dimensiuni: 152 x 229 mm
Greutate: 0.4 kg
Editura: ELSEVIER SCIENCE
Seria Annual Reports in Computational Chemistry

Public țintă

Researchers and students interested in computational chemistry

Cuprins

           Section A—Quantum Chemistry
  1. Quantum Chemistry Methods with Multiwavelet Bases on Massive Parallel ComputersAlvaro Vazquez-Mayagoitia, W. Scott Thornton, Jeff R. Hammond and Robert J. Harrison
  2. On the Transferability of Three Water Models Developed by Adaptive Force MatchingHongyi Hu, Zhonghua Ma and Feng Wang
    Section B—Biological Applications
  3. Seeing the Forest in Lieu of the Trees: Continuum Simulations of Cell Membranes at Large Length ScalesKayla Sapp, Roie Shlomovitz and Lutz Maibaum
  4. A Microscopic View of the Mechanisms of Active Transport Across the Cellular MembraneGiray Enkavi, Jing Li, Pochao Wen, Sundarapandian Thangapandian, Mahmoud Moradi, Tao Jiang, Wei Han and Emad Tajkhorshid
  5. Monte Carlo Simulation of Electrolyte Solutions in Biology: In and Out of EquilibriumDezső Boda
    Section C—Chemical Education
  6. The Development and Implementation of a Bio-Molecular Docking Exercise for the General Chemistry Laboratory

    Clare E. O’Grady, Peter Talpey, Timothy E. Elgren and Adam W. Van Wynsberghe