Puthenkalathil, R. C., Etinski, M., & Ensing, B. (2020). Unraveling the mechanism of biomimetic hydrogen fuel production - a first principles molecular dynamics study. Physical Chemistry Chemical Physics, 22(19), 10447-10454. https://doi.org/10.1039/c9cp06770a
Cota, R., Tiwari, A., Ensing, B., Bakker, H. J., & Woutersen, S. (2020). Hydration interactions beyond the first solvation shell in aqueous phenolate solution. Physical Chemistry Chemical Physics, 22(35), 19940-19947. https://doi.org/10.1039/d0cp01209b
Hermans, J., & Helwig, K. (2020). The Identification of Multiple Crystalline Zinc Soap Structures Using Infrared Spectroscopy. Applied Spectroscopy, 74(12), 1505-1514. https://doi.org/10.1177/0003702820935183
Etinski, M., Stanković, I. M., Puthenkalathil, R. C., & Ensing, B. (2020). A DFT study of structure and electrochemical properties of diiron-hydrogenase models with benzenedithiolato and benzenediselenato ligands. New Journal of Chemistry, 44(3), 932-941. https://doi.org/10.1039/c9nj04887a
Heshmat, M., & Ensing, B. (2020). Optimizing the Energetics of FLP-Type H2 Activation by Modulating the Electronic and Structural Properties of the Lewis Acids: A DFT Study. Journal of Physical Chemistry A, 124(32), 6399-6410. https://doi.org/10.1021/acs.jpca.0c03108
Gonzalez, V., van Loon, A., Price, S. W. T., Noble, P., & Keune, K. (2020). Synchrotron micro-XRD and micro-XRD-CT reveal newly formed lead-sulfur compounds in Old Master paintings. Journal of Analytical Atomic Spectrometry, 35(10), 2267-2273. https://doi.org/10.1039/d0ja00169d
Krishna, R. (2020). Metrics for Evaluation and Screening of Metal-Organic Frameworks for Applications in Mixture Separations. ACS Omega, 5(28), 16987-17004. https://doi.org/10.1021/acsomega.0c02218
Orlova, Y. (2020). Graph-theoretical approach to algorithmic construction of complex reaction networks. [Thesis, fully internal, Universiteit van Amsterdam].
Krishna, R., & van Baten, J. M. (2020). Using Molecular Simulations for Elucidation of Thermodynamic Nonidealities in Adsorption of CO2-Containing Mixtures in NaX Zeolite. ACS Omega, 5(32), 20535-20542. https://doi.org/10.1021/acsomega.0c02730
Baij, C. L. M. (2020). A molecular perspective on the cleaning of oil paintings. [Thesis, externally prepared, Universiteit van Amsterdam].