Items where Author is "Wellington, Joseph P. W."

Journal Article

Wellington, Joseph P. W. and Tegner, Bengt and Collard, Jonathan and Kerridge, Andrew and Kaltsoyannis, Nikolas (2018) Oxygen Vacancy Formation and Water Adsorption on Reduced AnO2 {111}, {110} and {100} Surfaces (An = U, Pu); A Computational Study. The Journal of Physical Chemistry C, 122 (13). pp. 7149-7165. ISSN 1932-7447

Wellington, Joseph P. W. and Kerridge, Andrew and Austin, Jonathan and Kaltsoyannis, Nikolas (2016) 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 method. Journal of Nuclear Materials, 482. pp. 124-134. ISSN 0022-3115

Wellington, Joseph P. W. and Kerridge, Andrew and Kaltsoyannis, Nikolas (2016) 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. Polyhedron, 116. pp. 57-63. ISSN 0277-5387