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Chemical Theory and Computation

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  1. 2022
  2. Published

    Lithium-Ion Uptake and Diffusion in a Family of Organically Synthesized Porous Carbon

    Heasman, P., Varley, E. & Trewin, A., 16/06/2022, In: Energy and Fuels. 36, 12, p. 6560-6568 9 p.

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

  3. Published

    Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

    Horton, J. T., Boothroyd, S., Wagner, J., Mitchell, J. A., Gokey, T., Dotson, D. L., Behara, P. K., Ramaswamy, V. K., Mackey, M., Chodera, J. D., Anwar, J., Mobley, D. L. & Cole, D. J., 28/11/2022, In: Journal of Chemical Information and Modeling. 62, 22, p. 5622-5633 12 p.

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

  4. 2023
  5. Published

    Review of ceramic mold casting of metal-based materials via the Shaw process

    Hardy, J., Cheneler, D., Heasman, P. & Dodd, A., 3/01/2023, engrxiv.

    Research output: Other contribution

  6. Published

    Improving the efficiency and stability of perovskite solar cells using π-conjugated aromatic additives with differing hydrophobicities †

    Wang, R., Altujjar, A., Zibouche, N., Wang, X., Spencer, B. F., Jia, Z., Thomas, A. G., Mokhtar, M. Z., Cai, R., Haigh, S. J., Saunders, J. M., Islam, M. S. & Saunders, B. R., 1/06/2023, In: Energy and Environmental Science. 16, 6, p. 2646-2657 12 p.

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

  7. Published

    One-Year Water-Stable and Porous Bi(III) Halide Semiconductor with Broad-Spectrum Antibacterial Performance

    Azmy, A., Zhao, X., Angeli, G. K., Welton, C., Raval, P., Wojtas, L., Zibouche, N., Manjunatha Reddy, G. N., Trikalitis, P. N., Cai, J. & Spanopoulos, I., 13/09/2023, In: ACS Applied Materials and Interfaces. 15, 36, p. 42717-42729 13 p.

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

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