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Results for Physical and Theoretical Chemistry

Publications & Outputs

  1. High-Temperature Intrinsic Defect Chemistry of Li<sub>8</sub>PbO<sub>6</sub> Ceramic Breeding Material

    Davies, A. W., Neilson, W. D., Bedford, R. T. & Murphy, S. T., 16/11/2023, In: The Journal of Physical Chemistry C. 127, 45, p. 22265-22276 12 p.

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

  2. Strategies for the Controlled Hydrostannylation of Alkynes

    Roberts, D. D. & McLaughlin, M. G., 7/11/2023, In: European Journal of Organic Chemistry. 26, 42, 6 p., e202300755.

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

  3. Distinguishing between deterministic oscillations and noise

    Rowland Adams, J., Newman, J. & Stefanovska, A., 14/09/2023, (E-pub ahead of print) In: European Physical Journal - Special Topics.

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

  4. Self-assembly and tiling of a prochiral hydrogen-bonded network: bi-isonicotinic acid on coinage metal surfaces

    Allen, A., Abdur Rashid, M., Rahe, P., Jarvis, S. P., O'Shea, J. N., Dunn, J. L. & Moriarty, P., 31/07/2023, In: Molecular Physics. 121, 7-8, 11 p., e2192824.

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

  5. Prediction of aqueous solubility of a strongly soluble solute from molecular simulation

    Carruthers, J., Ferrario, M. & Anwar, J., 28/07/2023, In: Journal of Chemical Physics. 159, 4, 044114.

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

  6. Structure of Uranium(V) Methyl and Uranium(IV) Ylide Complexes

    Rungthanaphatsophon, P., Stanistreet-Welsh, K., Ward, R. J., Kelley, S. P., Lukens, W. W., Kerridge, A. & Walensky, J. R., 26/06/2023, In: Organometallics. 42, 12, p. 1404-1410 7 p.

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

  7. Synthesis of CaCO3/Cu2O/GO Nanocomposite Catalysts for Hydrogen Production from NaBH4 Methanolysis

    Alshammari, M., Alhassan, S., Alshammari, K., Alotaibi, T., Taha, T. A. M., Alshammari, A. H. & Ismael, A., 16/06/2023, In: Catalysts. 13, 6, 1010.

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

  8. Quasi-Free Electron States Responsible for Single-Molecule Conductance Enhancement in Stable Radical

    Yang, X., Hou, S., Su, M., Zhan, Q., Zhang, H., Quintero, S. M., Liu, X., Liu, J., Hong, W., Casado, J., Wu, Q., Lambert, C. J. & Zheng, Y., 4/05/2023, In: The Journal of Physical Chemistry Letters. 14, 17, p. 4004-4010 7 p.

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

  9. 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 othersCatlow, 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

  10. Chiral Co<sub>3</sub>Y Propeller-Shaped Chemosensory Platforms Based on <sup>19</sup>F-NMR

    Audsley, G., Carpenter, H., Essien, N. B., Lai-Morrice, J., Al-Hilaly, Y., Serpell, L. C., Akien, G. R., Tizzard, G. J., Coles, S. J., Ulldemolins, C. P. & Kostakis, G. E., 13/02/2023, In: Inorganic Chemistry. 62, 6, p. 2680-2693 14 p.

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

  11. Recent progress in solid-state NMR of spin-½ low-γ nuclei applied to inorganic materials

    Smith, M. E., 7/01/2023, In: Physical Chemistry Chemical Physics. 25, 1, p. 26-47 22 p.

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

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