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Electronic structure of bulk AnO2 (An = U, Np, Pu) and water adsorption on the (111) and (110) surfaces of UO2 and PuO2 from hybrid density functional theory within the periodic electrostatic embedded cluster methodWellington, J.P.W., Kerridge, A., Austin, J., Kaltsoyannis, N. 15/12/2016 In: Journal of Nuclear Materials. 482, p. 124-134. 11 p. The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexesGregson, M., Lu, E., Mills, D., Tuna, F., McInnes, E., Hennig, C., Scheinost, A., McMaster, J., Lewis, W., Blake, A., Kerridge, A., Liddle, S. 2/12/2016 In: Nature Communications. Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopyFormanuik, A., Ana-Maria, A., Ortu, F., Beekmeyer, R., Kerridge, A., Tuna, F., McInnes, E., Mills, D. 10/11/2016 In: Nature Chemistry. Ionic adsorption on the brucite (0001) surface: a periodic electrostatic embedded cluster method studyMakkos, E., Kerridge, A., Austin, J., Kaltsoyannis, N. 8/11/2016 In: Journal of Chemical Physics. Concomitant Carboxylate and Oxalate Formation From the Activation of CO2 by a Thorium(III) ComplexFormanuik, A., Ortu, F., Inman, C., Kerridge, A., Castro, L., Maron, L., Mills, D. 27/10/2016 In: Chemistry - A European Journal. Topological study of bonding in aquo and bis(triazinyl)pyridine complexes of trivalent lanthanides and actinides: does covalency imply stability?Fryer-Kanssen, I., Austin, J., Kerridge, A. 17/10/2016 In: Inorganic Chemistry. 55, 20, p. 10034-10042. 9 p. 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. Assessing covalency in equatorial U-N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranylDi Pietro, P., Kerridge, A. 7/07/2016 In: Physical Chemistry Chemical Physics. 18, 25, p. 16830-16839. 10 p. Emergence of comparable covalency in isostructural cerium(IV)– and uranium(IV)–carbon multiple bondsGregson, M., Lu, E., McInnes, E., Hennig, C., Scheinost, A., McMaster, J., Lewis, W., Blake, A., Kerridge, A., Liddle, S. 1/05/2016 In: Chemical Science. 7, 5, p. 3286-3297. 12 p. White phosphorus activation by a Th(III) complexFormanuik, A., Ortu, F., Beekmeyer, R., Kerridge, A., Adams, R., Mills, D. 14/02/2016 In: Dalton Transactions. 45, 6, p. 2390-2393. 4 p. U?Oyl stretching vibrations as a quantitative measure of the equatorial bond covalency in uranyl complexes: a quantum-chemical investigationDi Pietro, P., Kerridge, A. 19/01/2016 In: Inorganic Chemistry. 55, 2, p. 573-583. 11 p. Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) complexes: molecular and electronic structure, spectroscopy, and transmetalation reactivityBehrle, A., Kerridge, A., Walensky, J. 21/12/2015 In: Inorganic Chemistry. 54, 24, p. 11625-11636. 12 p. Understanding and advancing the coordination and redox chemistry of the actinidesKerridge, A., Woodall, S., Natrajan, L.S., Kaden, P. 1/12/2015 Nuclear Future, 11 Assessing covalency in Cerium and Uranium hexachlorides: a correlated wavefunction and density functional theory studyBeekmeyer, R., Kerridge, A. 9/11/2015 In: Inorganics. 3, 4, p. 482-499. 18 p. The importance of second shell effects in the simulation of hydrated Sr2+ hydroxide complexesMakkos, E., Kerridge, A., Kaltsoyannis, N. 22/05/2015 In: Dalton Transactions. 44, 25, p. 11572-11581. 10 p. Neptunyl(VI) centred visible LMCT emission directly observable in the presence of uranyl(VI)Woodall, S., Swinburne, A.N., Ial Banik, N., Kerridge, A., Di Pietro, P., Adam, C., Kaden, P., Natrajan, L.S. 28/03/2015 In: Chemical Communications. 51, 25, p. 5402-5405. 4 p. Yttrium complexes of Arsine, Arsenide, and Arsinidene LigandsPugh, T., Kerridge, A., Layfield, R. 27/03/2015 In: Angewandte Chemie International Edition. 54, 14, p. 4255-4258. 4 p. The complete-active-space self-consistent-field approach and its application to molecular complexes of the f-elementsKerridge, A. 03/2015 In: Computational methods in lanthanide and actinide chemistry. Chichester : Wiley p. 121-144. 24 p. ISBN: 9781118688311. Electronic ISBN: 9781118688304. Optical excitation of MgO nanoparticles: a computational perspectiveWobbe, M.C.C., Kerridge, A., Zwijnenburg, M.A. 28/08/2014 In: Physical Chemistry Chemical Physics. 16, 40, p. 22052-22061. 10 p. Chemical bonding of lanthanides and actinidesKaltsoyannis, N., Kerridge, A. 30/05/2014 In: The chemical bond. Weinheim, Germany : Wiley p. 337-356. 20 p. ISBN: 9783527333158. Electronic ISBN: 9783527664658. f-Orbital covalency in the actinocenes (An = Th-Cm): multiconfigurational studies and topological analysisKerridge, A. 18/02/2014 In: RSC Advances. 4, 24, p. 12078-12086. 9 p. Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological studyKerridge, A. 14/12/2013 In: Dalton Transactions. 42, 46, p. 16428-16436. 9 p. Emission spectroscopy of uranium(IV) compounds: a combined synthetic, spectroscopic and computational studyHashem, 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. A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiencyKerridge, A. 14/02/2013 In: Physical Chemistry Chemical Physics. 15, 6, p. 2197-2209. 13 p. The coordination of Sr2+ by hydroxide: a density functional theoretical studyKerridge, A., Kaltsoyannis, N. 14/11/2011 In: Dalton Transactions. 40, 42, p. 11258-11266. 9 p.