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28 ta ish

Ish: The missing term in effective pair potentials

  1. Rational design of ion force fields based on thermodynamic solvation properties

    Dominik Horinek, Shavkat Mamatkulov, Roland R. Netz

    MaqolaSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20097 iqtibos
    ABI

  2. Optimization of classical nonpolarizable force fields for OH− and H3O+

    Douwe Jan Bonthuis, Shavkat Mamatkulov, Roland R. Netz

    MaqolaSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20164 iqtibos
    ABI

  3. Features of self-organization of sodium dodecyl sulfate in water-ethanol solutions: Theory and vibrational spectroscopy

    И. В. Пластинин, Sergey Burikov, Shukur Gofurov +3

    MaqolaSurfactants and Colloidal SystemsJournal of Molecular Liquids20192 iqtibos
    ABI

  4. Interfacial Bond-Breaking Electron Transfer in Mixed Water–Ethylene Glycol Solutions: Reorganization Energy and Interplay between Different Solvent Modes

    Oksana Ismailova, Alexander S. Berezin, Michael Probst +1

    MaqolaElectrochemical Analysis and ApplicationsThe Journal of Physical Chemistry B20131 iqtibos
    ABI

  5. Orientation‐Induced Adsorption of Hydrated Protons at the Air–Water Interface

    Shavkat Mamatkulov, Christoph Allolio, Roland R. Netz +1

    MaqolaSpectroscopy and Quantum Chemical StudiesAngewandte Chemie International Edition20171 iqtibos
    ABI

  6. Water-separated ion pairs cause the slow dielectric mode of magnesium sulfate solutions

    Shavkat Mamatkulov, Klaus F. Rinne, Richard Buchner +2

    MaqolaSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20181 iqtibos
    ABI

  7. Effect of endohedral nickel atoms on the hydrophilicity of carbon nanotubes

    Shakhrizoda Matnazarova, Umedjon Khalilov, Maksudbek Yusupov

    MaqolaCarbon Nanotubes in CompositesMolecular Simulation20231 iqtibos
    ABI

  8. Effect of channel roughness on the particle diffusion and permeability of carbon nanotubes in reverse electrodialysis process applying molecular dynamics simulation

    Yabing Li, Ali B.M. Ali, Nelly Esther Flores Tapia +3

    MaqolaMembrane-based Ion Separation TechniquesJournal of Molecular Graphics and Modelling20241 iqtibos
    ABI

  9. Analysis of different phase change materials (PCMs) and wall material in a nano-circular space thermal energy storage (TES) system: A molecular dynamics approach

    Cheng Cao, Ali B.M. Ali, Zahraa Abed Hussein +5

    MaqolaPhase Change Materials ResearchInternational Journal of Thermal Sciences20251 iqtibos
    ABI

  10. Effect of nanoparticle size on the thermal performance of paraffin-O2 hybrid heat sink using molecular dynamics approach

    Yi Ru, Ali B.M. Ali, Karwan Hussein Qader +5

    MaqolaNanofluid Flow and Heat TransferInternational Communications in Heat and Mass Transfer20251 iqtibos
    ABI

  11. Specific ion adsorption at the air/water interface: The role of hydrophobic solvation

    Dominik Horinek, Alexander Herz, Luboš Vrbka +3

    MaqolaSpectroscopy and Quantum Chemical StudiesChemical Physics Letters20090 iqtibos
    ABI

  12. The diffusion and concentration effects of formamide on a TiO<sub>2</sub> surface in the presence of a water solvent

    Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka

    Maqolananoparticles nucleation surface interactionsNatural Science20120 iqtibos
    ABI

  13. Structural and diffusion properties of formamide/water mixture interacting with TiO2 surface

    Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka

    MaqolaMolecular Junctions and NanostructuresBioorganic Chemistry20130 iqtibos
    ABI

  14. Activation Energy Calculations for Formamide–TiO2 and Formamide–Pt Interactions in the Presence of Water

    Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka

    MaqolaMolecular Junctions and NanostructuresThe Open Biochemistry Journal20130 iqtibos
    ABI

  15. Adsorption von hydrierten Protonen an der Luft‐Wasser‐Grenzfläche durch Orientierung

    Shavkat Mamatkulov, Christoph Allolio, Roland R. Netz +1

    MaqolaSpectroscopy and Quantum Chemical StudiesAngewandte Chemie20170 iqtibos
    ABI

  16. Interfacial bond between modified micro carbon fiber and high-strength cement paste in UHPC: Bond-slip tests and molecular dynamic simulation

    Haoliang Huang, Jing Luo, Chuhan Peng +8

    MaqolaSmart Materials for ConstructionCement and Concrete Composites20230 iqtibos
    ABI

  17. Unveiling the Borohydride Ion through Force-Field Development

    Shavkat Mamatkulov, Jakub Polák, Jamoliddin Razzokov +5

    MaqolaHydrogen Storage and MaterialsJournal of Chemical Theory and Computation20240 iqtibos
    ABI

  18. Evaluation of the growth process of soot mass due to changes in hydrogen atomic percentage and external heat flux using molecular dynamics simulation

    Shouqiang Sun, Ali B.M. Ali, Hadeel Kareem Abdul-Redha +5

    MaqolaAdvanced Combustion Engine TechnologiesCase Studies in Thermal Engineering20240 iqtibos
    ABI

  19. Modeling the influence of external heat flux on thermal characteristics of the silica aerogel/paraffin in a cylindrical atomic duct

    Lishan Geng, Ali B.M. Ali, Shahram Babadoust +5

    MaqolaAerogels and thermal insulationCase Studies in Thermal Engineering20240 iqtibos
    ABI

  20. Investigating the effect of copper oxide nanoparticles radius on thermal behavior of silica aerogel/paraffin nanostructure using molecular dynamics simulation

    Yi Ru, Ali B.M. Ali, Karwan Hussein Qader +5

    MaqolaTransition Metal Oxide NanomaterialsInternational Communications in Heat and Mass Transfer20240 iqtibos
    ABI

  21. Sputtering of Ionic Water Clusters at the Ar<sup>+</sup> Ion Bombardment

    Kamola Otabaeva, Uchkun Kutliev, Obid I. Sabirov +1

    MaqolaIon-surface interactions and analysis20240 iqtibos
    ABI

  22. Structural Features of Reverse AOT Micelles in Water/Cyclohexane: Molecular Dynamics Study

    Dilbar Bozorova, Shukur Gofurov, Mavlonbek Ziyaev +1

    MaqolaSurfactants and Colloidal SystemsEast European Journal of Physics20240 iqtibos
    ABI

  23. The effect of copper oxide nanoparticles on the thermal behavior of silica aerogel/paraffin as a phase change material in a cylindrical channel with molecular dynamics simulation

    H. J. Yang, Ali B.M. Ali, Younis Mohamed Atiah Al-zahy +6

    MaqolaPhase Change Materials ResearchProgress in Nuclear Energy20250 iqtibos
    ABI

  24. Investigating the effect of volume fraction on Brownian displacement, thermophoresis, and thermal behavior of graphene/water nanofluid by molecular dynamics simulation

    Bingchen Lin, Ali B.M. Ali, Shahram Babadoust +5

    MaqolaNanofluid Flow and Heat TransferInternational Communications in Heat and Mass Transfer20250 iqtibos
    ABI

  25. Thermal behavior of silica aerogel-paraffin nanocomposites in a nanochannel under varying magnetic fields: A molecular dynamics study

    Yi Ru, Ali B.M. Ali, Shahram Babadoust +6

    MaqolaAerogels and thermal insulationCase Studies in Thermal Engineering20250 iqtibos
    ABI