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Results: 105
Number of items: 105
  • Open Access
    Zhuo, L. (2026). Molecular modelling of electrocatalytic CO2 conversion. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Li, Y.-Y., Eisses, A., Meijer, E. J., Chen, S.-X., & Liao, R.-Z. (2025). Unraveling the Role of the Nitrate Ion and Solvent Water on the O―O Bond Formation Step in Fe―TAML Catalyzed Water Oxidation. ChemCatChem, 17(1), Article e202401356. https://doi.org/10.1002/cctc.202401356
  • Open Access
    Zhang, Y., Liu, X., van Duin, A. C. T., Lu, X., & Meijer, E. J. (2024). Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling. Journal of Chemical Physics, 160(9), Article 094103. https://doi.org/10.1063/5.0194486
  • Open Access
    Do, T. H., Tong, H. D., Tran, K. Q., Meijer, E. J., & Trinh, T. T. (2023). Insight into the role of excess hydroxide ions in silicate condensation reactions. Physical Chemistry Chemical Physics, 25(18), 12723-12733. https://doi.org/10.1039/d3cp00475a
  • Open Access
    Ho, T. H., Do, T. H., Tong, H. D., Meijer, E. J., & Trinh, T. T. (2023). The Role of Chloride ion in the Silicate Condensation Reaction from ab Initio Molecular Dynamics Simulations. Journal of Physical Chemistry B, 127(36), 7748-7757. https://doi.org/10.1021/acs.jpcb.3c04256
  • Open Access
    Surendran, A. K., Tripodi, G. L., Pluhařová, E., Pereverzev, A. Y., Bruekers, J. P. J., Elemans, J. A. A. W., Meijer, E. J., & Roithová, J. (2023). Host-guest tuning of the CO2 reduction activity of an iron porphyrin cage. Natural Sciences, 3(1), Article e20220019. https://doi.org/10.1002/ntls.20220019
  • Open Access
    Sinha, V., Sun, D., Meijer, E. J., Vlugt, T. J. H., & Bieberle-Hütter, A. (2021). A multiscale modelling approach to elucidate the mechanism of the oxygen evolution reaction at the hematite-water interface. Faraday Discussions, 229, 89-107. https://doi.org/10.1039/c9fd00140a
  • Open Access
    Pérez de Alba Ortíz, A. (2021). Traversing the free-energy pathways of intricate biomolecular processes: Enhanced simulation development and applications. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    Li, Y.-Y., Meijer, E. J., & Liao, R.-Z. (2021). Elucidating the Role of Aqueous Solvent in an Iron-Based Water Oxidation System by DFT-based Molecular Simulation. ChemCatChem, 13(19), 4251-4259. https://doi.org/10.1002/cctc.202100616
  • Open Access
    Bause, M. (2021). Maximum caliber approach to reweight dynamics of non-equilibrium steady states. [Thesis, externally prepared, Universiteit van Amsterdam].
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