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Results: 72
Number of items: 72
  • Open Access
    Liu, L., Lukose, B., Jaque, P., & Ensing, B. (2019). Reaction mechanism of hydrogen activation by frustrated Lewis pairs. Green Energy & Environment, 4(1), 20-28. https://doi.org/10.1016/j.gee.2018.06.001
  • Open Access
    Tiwari, A. (2019). Toward accurate simulation of electrocatalyzed water splitting: Enhanced quantum chemical dynamics simulations of proton and electron transfer reactions. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    The PLUMED consortium (2019). Promoting transparency and reproducibility in enhanced molecular simulations. Nature Methods, 16(8), 670-673. https://doi.org/10.1038/s41592-019-0506-8
  • Woutersen, S., Ensing, B., Hilbers, M. F., Zhao, Z.-F., & Angell, C. A. (2018, March 9). Data from: "A liquid-liquid transition in supercooled aqueous solution related to the HDA-LDA transition" [Data set]. Universiteit van Amsterdam. https://doi.org/10.21942/uva.5808366.v1
  • Open Access
    Govindarajan, N., Tiwari, A., Ensing, B., & Meijer, E. J. (2018). Impact of the Ligand Flexibility and Solvent on the O-O Bond Formation Step in a Highly Active Ruthenium Water Oxidation Catalyst. Inorganic Chemistry, 57(21), 13063-13066. https://doi.org/10.1021/acs.inorgchem.8b00619
  • Open Access
    Rodríguez-Laguna, M. R., Castro-Alvarez, A., Sledzinska, M., Maire, J., Costanzo, F., Ensing, B., Pruneda, M., Ordejón, P., Sotomayor Torres, C. M., Gómez-Romero, P., & Chávez-Ángel, E. (2018). Mechanisms behind the enhancement of thermal properties of graphene nanofluids. Nanoscale, 10(32), 15402-15409. https://doi.org/10.1039/c8nr02762e
  • Open Access
    Liu, L., Lukose, B., & Ensing, B. (2018). A Free Energy Landscape of CO2 Capture by Frustrated Lewis Pairs. ACS Catalysis, 8(4), 3376-3381. https://doi.org/10.1021/acscatal.7b04072
  • Open Access
    Woutersen, S., Ensing, B., Hilbers, M., Zhao, Z., & Angell, C. A. (2018). A liquid-liquid transition in supercooled aqueous solution related to the HDA-LDA transition. Science, 359(6380), 1127-1131. https://doi.org/10.1126/science.aao7049
  • Open Access
    Zhang, W., Innocenti, G., Oulego, P., Gitis, V., Wu, H., Ensing, B., Cavani, F., Rothenberg, G., & Shiju, N. R. (2018). Highly Selective Oxidation of Ethyl Lactate to Ethyl Pyruvate Catalyzed by Mesoporous Vanadia-Titania. ACS Catalysis, 8(3), 2365-2374. https://doi.org/10.1021/acscatal.7b03843
  • Open Access
    Etinski, M., & Ensing, B. (2018). Puzzle of the Intramolecular Hydrogen Bond of Dibenzoylmethane Resolved by Molecular Dynamics Simulations. The Journal of Physical Chemistry. A, 122(28), 5945-5954. https://doi.org/10.1021/acs.jpca.8b01930
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