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Publications & Outputs

  1. Formation of Mn hydrides from bis(trimethylsilylmethyl) Mn(II): A DFT study

    Hales, J. J., Trudeau, M. L., Antonelli, D. M. & Kaltsoyannis, N., 1/03/2020, In : Polyhedron. 178, 11 p., 114355.

    Research output: Contribution to journalJournal article

  2. Defining the origins of multiple emission/excitation in rhenium-bisthiazole complexes

    Azzarelli, N., Ponnala, S., Aguirre, A., Dampf, S. J., Davis, M. P., Ruggiero, M. T., Lopez Diaz, V., Babich, J. W., Coogan, M., Korter, T., Doyle, R. P. & Zubieta, J., 1/04/2019, In : Inorganica Chimica Acta. 489, p. 301-309 9 p.

    Research output: Contribution to journalJournal article

  3. Decomposition of d- and f-shell contributions to uranium bonding from the quantum theory of atoms in molecules: Application to uranium and uranyl halides

    Tanti, J., Lincoln, M. & Kerridge, A., 30/08/2018, In : Inorganics. 6, 3, 19 p., 88.

    Research output: Contribution to journalJournal article

  4. Advancing solvent extraction technology for improved management of contaminated liquors

    Fryer-Kanssen, I., 2017, Lancaster University. 149 p.

    Research output: ThesisDoctoral Thesis

  5. Should environmental effects be included when performing QTAIM calculations on actinide systems? a comparison of QTAIM metrics for Cs2UO2Cl4, U(Se2PPh2)4 and Np(Se2PPh2)4 in gas phase, COSMO and PEECM

    Wellington, J. P. W., Kerridge, A. & Kaltsoyannis, N., 25/09/2016, In : Polyhedron. 116, p. 57-63 7 p.

    Research output: Contribution to journalJournal article

  6. Assessing covalency in Cerium and Uranium hexachlorides: a correlated wavefunction and density functional theory study

    Beekmeyer, R. & Kerridge, A., 9/11/2015, In : Inorganics. 3, 4, p. 482-499 18 p.

    Research output: Contribution to journalJournal article

  7. Point defects and non-stoichiometry in thoria

    Murphy, S. T., Cooper, M. W. D. & Grimes, R. W., 1/12/2014, In : Solid State Ionics. 267, p. 80-87 8 p.

    Research output: Contribution to journalJournal article

  8. Simulated structure and imaging of NTCDI on Si(1 1 1)-7 × 7: a combined STM, NC-AFM and DFT study

    Jarvis, S. P., Sweetman, A. M., Lekkas, I., Champness, N. R., Kantorovich, L. & Moriarty, P., 21/11/2014, In : Journal of Physics: Condensed Matter. 27, 5, 8 p., 054004.

    Research output: Contribution to journalJournal article

  9. Structural development and energy dissipation in simulated silicon apices

    Jarvis, S. P., Kantorovich, L. & Moriarty, P., 20/12/2013, In : Beilstein Journal of Nanotechnology. 4, p. 941-948 8 p.

    Research output: Contribution to journalJournal article

  10. Development of 43Ca solid state NMR spectroscopy as a probe of local structure in inorganic and molecular materials

    Laurencin, D. & Smith, M. E., 01/2013, In : Progress in Nuclear Magnetic Resonance Spectroscopy. 68, p. 1-40 40 p.

    Research output: Contribution to journalJournal article