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  1. 2023
  2. Published

    Multiscale QM/MM modelling of catalytic systems with ChemShell

    Lu, Y., Sen, K., Yong, C., Gunn, D. S. D., Purton, J. A., Guan, J., Desmoutier, A., Abdul Nasir, J., Zhang, X., Zhu, L., Hou, Q., Jackson-Masters, J., Watts, S., Hanson, R., Thomas, H. N., Jayawardena, O., Logsdail, A. J., Woodley, S. M., Senn, H. M. & Sherwood, P. & 3 others, Catlow, C. R. A., Sokol, A. A. & Keal, T. W., 20/04/2023, In: Physical Chemistry Chemical Physics. 25, 33, p. 21816-21835 20 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  3. Published

    Access to functionalized Mannich scaffolds via a calcium-catalyzed dehydrative aza-Friedel-Crafts reaction

    Basson, A. & McLaughlin, M., 19/04/2023, In: Cell Reports Physical Science. 4, 4, 13 p., 101234.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  4. Published

    Light-driven flagella-like motion of coordination compound single crystals

    Ekka, A., Kurakula, U., Choudhury, A., Mishra, A., Faye, A., Halcovitch, N. R. & Medishetty, R., 14/04/2023, In: Chemical Communications. 59, 29, p. 4384-4387 4 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  5. Published

    Anion Modulated Expression of Chirality in Hydrogen Bond Templated Mechanically Chiral [2]Rotaxanes

    Spicer, R. L., Shearman, C. C. & Evans, N. H., 13/04/2023, In: Chemistry - A European Journal. 29, 21, 8 p., e202203502.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  6. Published

    Fluorine-based Zn salan complexes

    Essien, N. B., Galvácsi, A., Kállay, C., Al-Hilaly, Y., González-Méndez, R., Akien, G. R., Tizzard, G. J., Coles, S. J., Besora, M. & Kostakis, G. E., 7/04/2023, In: Dalton Transactions. 52, 13, p. 4044-4057 14 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  7. 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/Magazine › Journal article › peer-review

  8. Published

    Oxygen-Redox Activity in Non-Lithium-Excess Tungsten-Doped LiNiO2 Cathode

    Menon, A. S., Johnston, B. J., Booth, S. G., Zhang, L., Kress, K., Murdock, B. E., Paez Fajardo, G., Anthonisamy, N. N., Tapia-Ruiz, N., Agrestini, S., Garcia-Fernandez, M., Zhou, K., Thakur, P. K., Lee, T. L., Nedoma, A. J., Cussen, S. A. & Piper, L. F. J., 31/03/2023, In: PRX Energy. 2, 1, 013005.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  9. Published

    Sodiation energetics in pore size controlled hard carbons determined via entropy profiling †

    Mercer, M. P., Nagarathinam, M., Gavilán-Arriazu, E. M., Binjrajka, A., Panda, S., Au, H., Crespo-Ribadeneyra, M., Titirici, M.-M., Leiva, E. P. M. & Hoster, H. E., 28/03/2023, In: Journal of Materials Chemistry A. 11, 12, p. 6543-6555 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  10. Published

    Nanoarchitecture factors of solid – electrolyte interphase formation via 3D nano-rheology microscopy and surface force-distance spectroscopy

    Chen, Y., Wu, W., Gonzalez Munoz, S., Forcieri, L., Wells, C., Jarvis, S., Wu, F., Young, R., Dey, A., Isaaks, M., Nagarathinam, M., Palgrave, R., Tapia-Ruiz, N. & Kolosov, O., 10/03/2023, In: Nature Communications. 14, 13 p., 1321.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  11. E-pub ahead of print

    Gold nanoparticle-based two-photon fluorescent nanoprobe for monitoring intracellular nitric oxide levels

    Arnau del Valle, C., Thomas, P., Galindo, F., Muñoz, M. P. & Marín, M. J., 8/03/2023, (E-pub ahead of print) In: Journal of Materials Chemistry B.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

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