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Theoretical and Computational Chemistry

  1. 2023
  2. Published

    Interaction of gentamicin and gentamicin-AOT with poly-(lactide-co-glycolate) in a drug delivery system - density functional theory calculations and molecular dynamics simulation

    Duran, S., Anwar, J. & Moin, S. T., 31/03/2023, In: Biophysical chemistry. 294, 11 p., 106958.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

  3. E-pub ahead of print

    Photo‐modulating CO2 uptake of hypercrosslinked polymers upcycled from polystyrene waste

    Liu, A., Mollart, C., Trewin, A., Fan, X. & Lau, C. H., 11/02/2023, (E-pub ahead of print) In: ChemSusChem. e202300019.

    Research output: Contribution to Journal/MagazineJournal articlepeer-review

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