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Publications & Outputs

  1. f-Orbital covalency in the actinocenes (An = Th-Cm): multiconfigurational studies and topological analysis

    Kerridge, A., 2014, In : RSC Advances. 4, 24, p. 12078-12086 9 p.

    Research output: Contribution to journalJournal article

  2. Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study

    Kerridge, A., 14/12/2013, In : Dalton Transactions. 42, 46, p. 16428-16436 9 p.

    Research output: Contribution to journalJournal article

  3. Emission spectroscopy of uranium(IV) compounds: a combined synthetic, spectroscopic and computational study

    Hashem, E., Swinburne, A. N., Schulzke, C., Evans, R. C., Platts, J. A., Kerridge, A., Natrajan, L. S. & Baker, R. J., 7/04/2013, In : RSC Advances. 3, 13, p. 4350-4361 12 p.

    Research output: Contribution to journalJournal article

  4. The coordination of Sr2+ by hydroxide: a density functional theoretical study

    Kerridge, A. & Kaltsoyannis, N., 14/11/2011, In : Dalton Transactions. 40, 42, p. 11258-11266 9 p.

    Research output: Contribution to journalJournal article

  5. Quantum chemical studies of the hydration of Sr2+ in vacuum and aqueous solution

    Kerridge, A. & Kaltsoyannis, N., 26/04/2011, In : Chemistry - A European Journal. 17, 18, p. 5060-5067 8 p.

    Research output: Contribution to journalJournal article

  6. Is cerocene Really a Ce(III) compound? all-electron spin-orbit coupled CASPT2 calculations on M(eta(8)-C8H8)(2) (M = Th, Pa, Ce)

    Kerridge, A., Coates, R. & Kaltsoyannis, N., 26/03/2009, In : Journal of Physical Chemistry A. 113, 12, p. 2896-2905 10 p.

    Research output: Contribution to journalJournal article

  7. TDDFT diagnostic testing and functional assessment for triazene chromophores

    Peach, M. J. G., Le Sueur, C. R., Ruud, K., Guillaume, M. & Tozer, D. J., 2009, In : Physical Chemistry Chemical Physics. 11, 22, p. 4465-4470 6 p.

    Research output: Contribution to journalJournal article

  8. Influence of Coulomb-attenuation on exchange-correlation functional quality

    Peach, M. J. G., Cohen, A. J. & Tozer, D. J., 2006, In : Physical Chemistry Chemical Physics. 8, 39, p. 4543-4549 7 p.

    Research output: Contribution to journalJournal article