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BK Chang, PD Bristowe and AK Cheetham "Computational studies on the adsorption of CO2 in the flexible perfluorinated metal-organic framework zinc 1,2-bis(4-pyridyl)ethane tetrafluoroterephthalate", Phys Chem Chem Phys, 15 (2013) 176-182. L Kang, DM Ramo, Z Lin, PD Bristowe, J Qin and C Chen "First principles selection and design of mid-IR nonlinear optical halide crystals", Journal of Materials Chemistry C, 1 (2013) 7363-7370. I Toda-Caraballo, PD Bristowe and C Capdevila, "A molecular dynamics study of grain boundary free energies, migration mechanisms and mobilities in a bcc Fe-20Cr alloy", Acta Materialia, 60 (2012) 1116-1128. W Korner, PD Bristowe and C Elsasser, " Density functional theory study of stoichiometric and nonstoichiometric ZnO grain boundaries", Phys Rev B, 84 (2011) 045305.