Annual Reports in Computational Chemistry

Paperback Engels 2014 9780444633781
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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.

Specificaties

ISBN13:9780444633781
Taal:Engels
Bindwijze:Paperback

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Inhoudsopgave

 

          Section A—Quantum Chemistry


  1. Quantum Chemistry Methods with Multiwavelet Bases on Massive Parallel Computers


  2. Alvaro Vazquez-Mayagoitia, W. Scott Thornton, Jeff R. Hammond and Robert J. Harrison

  3. On the Transferability of Three Water Models Developed by Adaptive Force Matching


  4. Hongyi Hu, Zhonghua Ma and Feng Wang

    Section B—Biological Applications

  5. Seeing the Forest in Lieu of the Trees: Continuum Simulations of Cell Membranes at Large Length Scales


  6. Kayla Sapp, Roie Shlomovitz and Lutz Maibaum

  7. A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane


  8. Giray Enkavi, Jing Li, Pochao Wen, Sundarapandian Thangapandian, Mahmoud Moradi, Tao Jiang, Wei Han and Emad Tajkhorshid

  9. Monte Carlo Simulation of Electrolyte Solutions in Biology: In and Out of Equilibrium


  10. Dezső Boda

    Section C—Chemical Education

  11. 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
  12. Managementboek Top 100

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            Annual Reports in Computational Chemistry