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62 ta ish

Ish: The Absorption Mechanisms of CO2, H2S and CH4 Molecules in [EMIM][SCN] and [EMIM][DCA] Ionic Liquids: A Computational Insight

  1. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199677 iqtibos
    ABI

  2. Polymorphic transitions in single crystals: A new molecular dynamics method

    Michele Parrinello, A. Rahman

    Maqola198127 iqtibos
    ABI

  3. Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

    Tom Darden, Darrin M. York, Lee G. Pedersen

    Maqola199316 iqtibos
    ABI

  4. GROMACS: Fast, flexible, and free

    David van der Spoel, Erik Lindahl, Berk Hess +3

    Maqola200513 iqtibos
    ABI

  5. Mechanistic Insight into Permeation of Plasma-Generated Species from Vacuum into Water Bulk

    Jamoliddin Razzokov, Sunnatullo Fazliev, Akbar Kodirov +3

    MaqolaPlasma Applications and DiagnosticsInternational Journal of Molecular Sciences20227 iqtibos
    ABI

  6. Unraveling the Transport Properties of RONS across Nitro-Oxidized Membranes

    Davronjon Abduvokhidov, Maksudbek Yusupov, Aamir Shahzad +4

    MaqolaPlasma Applications and DiagnosticsBiomolecules20235 iqtibos
    ABI

  7. LINCS: A linear constraint solver for molecular simulations

    Berk Hess, Henk Bekker, Herman J. C. Berendsen +1

    Maqola19975 iqtibos
    ABI

  8. More bang for your buck: Improved use of GPU nodes for GROMACS 2018

    Carsten Kutzner, Szilárd Páll, Martin Fechner +3

    Maqola20194 iqtibos
    ABI

  9. Carbon Capture and Storage: How Green Can Black Be?

    R. Stuart Haszeldine

    Maqola20094 iqtibos
    ABI

  10. g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

    Jochen S. Hub, Bert L. de Groot, David van der Spoel

    Maqola20104 iqtibos
    ABI

  11. Metal–organic framework supported ionic liquid membranes for CO2 capture: anion effects

    Krishna M. Gupta, Yifei Chen, Zhongqiao Hu +1

    Maqola20122 iqtibos
    ABI

  12. Gas Solubility in Ionic Liquids

    Zhigang Lei, Chengna Dai, Biaohua Chen

    Sharh maqola20132 iqtibos
    ABI

  13. Why Is CO<sub>2</sub> So Soluble in Imidazolium-Based Ionic Liquids?

    Cesar Cadena, Jennifer L. Anthony, Jindal K. Shah +3

    Maqola20042 iqtibos
    ABI

  14. Systematic Investigation of Nitrile Based Ionic Liquids for CO<sub>2</sub> Capture: A Combination of Molecular Simulation and <i>ab Initio</i> Calculation

    Krishna M. Gupta, Jianwen Jiang

    Maqola20142 iqtibos
    ABI

  15. Interpretation of CO<sub>2</sub> Solubility and Selectivity in Nitrile-Functionalized Room-Temperature Ionic Liquids Using a Group Contribution Approach

    Trevor K. Carlisle, Jason E. Bara, Christopher J. Gabriel +2

    Maqola20082 iqtibos
    ABI

  16. Measurement of CO2 solubility in cyanide anion based ionic liquids; [c4mim][SCN], [c4mim][N(CN)2], [c4mim][C(CN)3]

    Ji Eun Kim, Jeong Won Kang, Jong Sung Lim

    Maqola20152 iqtibos
    ABI

  17. The distillation and volatility of ionic liquids

    Martyn J. Earle, José M. S. S. Esperança, Manuela A. Gîlea +5

    Maqola20062 iqtibos
    ABI

  18. Hydrolysis of Tetrafluoroborate and Hexafluorophosphate Counter Ions in Imidazolium-Based Ionic Liquids

    Mara G. Freire, Catarina M. S. S. Neves, Isabel M. Marrucho +2

    Maqola20092 iqtibos
    ABI

  19. High-Pressure Phase Behavior of Carbon Dioxide with Imidazolium-Based Ionic Liquids

    Sudhir N. V. K. Aki, Berlyn R. Mellein, Eric M. Saurer +1

    Maqola20042 iqtibos
    ABI

  20. Systematic Study of the Thermophysical Properties of Imidazolium-Based Ionic Liquids with Cyano-Functionalized Anions

    Catarina M. S. S. Neves, Kiki Adi Kurnia, João A. P. Coutinho +4

    Maqola20132 iqtibos
    ABI

  21. The effect of cyano groups on the solubility of carbon dioxide in ionic liquids containing cyano groups in anion

    Hang-Kyu Cho, Ji Eun Kim, Jong Sung Lim

    Maqola20172 iqtibos
    ABI

  22. Ionic liquids in gas separation processing

    Dawei Shang, Xinyan Liu, Lu Bai +4

    Maqola20172 iqtibos
    ABI

  23. Solubilities of Carbon Dioxide in 1-Ethyl-3-methylimidazolium Thiocyanate, 1-Ethyl-3-methylimidazolium Dicyanamide, and 1-Ethyl-3-methylimidazolium Tricyanomethanide at (298.2 to 373.2) K and (0 to 300.0) kPa

    Kuan Huang, Hailong Peng

    Maqola20172 iqtibos
    ABI

  24. Virtual Site OPLS Force Field for Imidazolium-Based Ionic Liquids

    Brian Doherty, Xiang Zhong, Orlando Acevedo

    Maqola20182 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI