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37 ta ish

Ish: Molecular dynamics study of ethanol solvated by water on the Pt (111) surface

  1. Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

    David C. Young

    Kitob200110 iqtibos
    ABI

  2. CHARMM: The biomolecular simulation program

    Bernard R. Brooks, Charles L. Brooks, Alexander D. MacKerell +32

    Sharh maqola20095 iqtibos
    ABI

  3. Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

    Pär Bjelkmar, Per Larsson, Michel A. Cuendet +2

    Maqola20104 iqtibos
    ABI

  4. DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package

    William R. Smith, Timothy R. Forester

    Maqola19964 iqtibos
    ABI

  5. Catalytic site requirements for elementary steps in syngas conversion to oxygenates over promoted rhodium

    Wolfgang M.H. Sachtler, Masaru Ichikawa

    Maqola19864 iqtibos
    ABI

  6. General Model for Water Monomer Adsorption on Close-Packed Transition and Noble Metal Surfaces

    Angelos Michaelides, Víctor A. Ranea, P. L. de Andrés +1

    MaqolaOchiq kirish20033 iqtibos
    ABI

  7. Molecular dynamics simulation of ethanol/water mixtures for structure and diffusion properties

    Cuijuan Zhang, Xiaoning Yang

    Maqola20053 iqtibos
    ABI

  8. Adsorption Mechanism and Dynamic Behavior of Water and Ethanol Molecules inside Au Nanotubes

    Yaochun Wang, Chuan Chen, Shin‐Pon Ju

    Maqola20083 iqtibos
    ABI

  9. Molecular dynamics simulation of self‐diffusion coefficient and its relation with temperature using simple Lennard‐Jones potential

    Weizhong Li, Cong Chen, Yang Jian

    Maqola20083 iqtibos
    ABI

  10. Long-range Finnis–Sinclair potentials

    Adrian P. Sutton, Jinlin Chen

    Maqola19903 iqtibos
    ABI

  11. High permeability membranes for the dehydration of low water content ethanol by pervaporation

    Vasudevan V. Namboodiri, Leland M. Vane

    Maqola20073 iqtibos
    ABI

  12. Recent progress in direct ethanol proton exchange membrane fuel cells (DE-PEMFCs)

    Shuqin Song, Panagiotis Tsiakaras

    Maqola20052 iqtibos
    ABI

  13. Direct ethanol PEM fuel cells: The case of platinum based anodes

    Seung‐Wan Song, Wu Zhou, Zhi‐You Zhou +6

    Maqola20052 iqtibos
    ABI

  14. Solution Dynamics in Aqueous Monohydric Alcohol Systems

    William S. Price, Hiroyuki Ide, Yoji Arata

    Maqola20032 iqtibos
    ABI

  15. Hydration of methanol in aqueous solution

    Alan K. Soper, John Finney

    Maqola19932 iqtibos
    ABI

  16. Interaction of Ethanol and Water with the {1014} Surface of Calcite

    David J. Cooke, Richard J. Gray, Karina K. Sand +2

    Maqola20102 iqtibos
    ABI

  17. Dynamic properties of water/alcohol mixtures studied by computer simulation

    Erik J. W. Wensink, Alex C. Hoffmann, Paul J. van Maaren +1

    Maqola20032 iqtibos
    ABI

  18. Carbon supported PtRh catalysts for ethanol oxidation in alkaline direct ethanol fuel cell

    Shuiyun Shen, Tianshou Zhao, Jianbo Xu

    Maqola20102 iqtibos
    ABI

  19. MD simulation of cluster–surface impacts for metallic phases: soft landing, droplet spreading and implantation

    Kholmirzo Kholmurodov, И.В. Пузынин, William R. Smith +2

    Maqola20012 iqtibos
    ABI

  20. Trends in biotechnological production of fuel ethanol from different feedstocks

    Óscar J. Sánchez, Carlos Ariel Cardona Álzate

    Sharh maqola20082 iqtibos
    ABI

  21. Equilibrium liquidus temperatures of binary mixtures from differential scanning calorimetry

    T. Kousksou, A. Jamil, Y. Zéraouli +1

    Maqola20072 iqtibos
    ABI

  22. Fuel ethanol production: Process design trends and integration opportunities

    Carlos Ariel Cardona Álzate, Óscar J. Sánchez

    Sharh maqola20072 iqtibos
    ABI

  23. Computer Simulation Study of <i>tert</i>-Butyl Alcohol. 2. Structure in Aqueous Solution

    Peter G. Kusalik, Alexander P. Lyubartsev, Dan L. Bergman +1

    Maqola20002 iqtibos
    ABI

  24. Electrodeposited Metals at Conducting Polymer Electrodes. II: Study of the Oxidation of Methanol at Poly(3-methylthiophene) Modified with Pt–Pd Co-catalyst

    Ahmed Galal, Nada F. Atta, Soher A. Darwish +1

    Maqola20082 iqtibos
    ABI

  25. Estimation of surface diffusion coefficient in liquid phase adsorption

    Kanji Miyabe, Shigeya Takeuchi

    Maqola19982 iqtibos
    ABI