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Results: 6
Number of items: 6
  • Open Access
    Puthenkalathil, R. C., & Ensing, B. (2022). Fast Proton Transport in FeFe Hydrogenase via a Flexible Channel and a Proton Hole Mechanism. Journal of Physical Chemistry B, 126(2), 403-411. https://doi.org/10.1021/acs.jpcb.1c08124
  • Open Access
    Puthenkalathil, R. C., & Ensing, B. (2022). Linear Scaling Relationships to Predict p Ka's and Reduction Potentials for Bioinspired Hydrogenase Catalysis. Inorganic Chemistry, 61(1), 113-120. https://doi.org/10.1021/acs.inorgchem.1c02429
  • Open Access
    Puthenkalathil, R. C. (2021). Unraveling the mechanism of biomimetic hydrogen fuel production: A computational study. [Thesis, fully internal, Universiteit van Amsterdam].
  • Open Access
    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
  • Open Access
    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
  • Open Access
    Pérez de Alba Ortíz, A., Tiwari, A., Puthenkalathil, R. C., & Ensing, B. (2018). Advances in enhanced sampling along adaptive paths of collective variables. Journal of Chemical Physics, 149(7), Article 072320. https://doi.org/10.1063/1.5027392
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