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Publications

Title Authors Year
Crystallization of an engineered RUN domain of Rab6-interacting protein 1/DENND5 Fernandes H, Franklin E, Khan AR 2011
Effect of epitaxial strain on the cation distribution in spinel ferrites CoFe2O4 and NiFe2O4: a density functional theory study D. Fritsch and C. Ederer 2011
Electronic structures of silver oxides Allen, J. P.; Scanlon, D. O. and Watson, G. W. 2011
Structural insights into dissimilatory sulfite reductases: structure of desulforubidin from Desulfomicrobium norvegicum Oliveira TF, Franklin E, Alfonso JP, Khan AR, Oldham NJ, Pereira IAC, Archer M 2011
Effect of Hubbard U on the construction of low energy Hamiltonians for LaMnO3 via maximally localized Wannier functions R. Kováčik and C. Ederer 2011
Sources of conductivity and doping limits in CdO from hybrid density functional theory Burbano, M.; Scanlon, D. O. and Watson, G. W. 2011
Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design McKay PB, Peters MB, Carta G, Flood CT, Dempsey E, Bell A, Berry C, Lloyd DG, Fayne D. 2011
What happens to the Upsilon and eta_b in the quark-gluon plasma? Bottomonium spectral functions from lattice QCD Gert Aarts, Chris Allton, Seyong Kim, Maria Paola Lombardo, Mehmet B. Oktay, Sinéad M. Ryan, D.K. Sinclair, Jon-Ivar Skullerud 2011
A dipole polarizable potential for reduced and doped CeO2 obtained from first principles Burbano, M.; Marrocchelli, D.; Yildiz, B.; Tuller, H. L.; Norberg, S. T.; Hull, S.; Madden, P. A. and Watson, G. W. 2011
Optical and Phonon Excitations of Modified Pandey Chains at the Si(111)-2x1 surface Charles H. Patterson, Soumya Banerjee and John F. McGilp 2011
What happens to the Upsilon and eta_b in the quark-gluon plasma? Bottomonium spectral functions from lattice QCD G. Aarts, C. Allton, S. Kim, M.P. Lombardo, M.B. Oktay, S.M. Ryan, D.K. Sinclair, J.I. Skulleru 2011
Chemical bonding in copper-based transparent conducting oxides: CuMO2 (M = In, Ga, Sc) Godinho, K. G.; Morgan, B. J.; Allen, J. P.; Scanlon, D. O. and Watson, G. W. 2011
Magnetization profile for impurities in graphene nanoribbons S. R. Power, V. M. de Menezes, S. B. Fagan and M. S. Ferreira 2011
Defect Trapped Electrons and Ferromagnetic Exchange in ZnO Aurab Chakrabarty and Charles H. Patterson 2011
Nature of the band gap of Tl2O3 Kehoe, A. B.; Scanlon, D. O. and Watson, G. W. 2011
The search for a spin crossover transition in small sized π-conjugated molecules: a Monte-Carlo study S. Bhattacharya, M.S. Ferreira and S. Sanvito 2011
Personality modulates the effects of emotional arousal and valence on brain activation; Social, Cognitive and Affective Neuroscience Kehoe EG, Toomey JM, Blasters JH, Bokde AL 2011
Multiple indices of diffucion identifies white matter damage in mild cognitive imapirment and Alzheimer's disease O'Dwyer L, Lamberton F, Bokde AL, Ewers M, Faluyi YO, Tanner C, Mazoyer B, O'Neill D, Bartley M, Collins DR, Coughlan T, Prvulovic D, Hamepl H 2011
Role of lattice distortions in the oxygen storage capacity of divalently doped CeO2 Kehoe, A. B.; Scanlon, D. O. and Watson, G. W. 2011
Electrical control of spin dynamics in finite one-dimensional systems A. Pertsova, M. Stamenova, and S. Sanvito 2011
A functional variant of the serotonin transporter gene (SLC6A4) moderates impulsive choice in attention-deficit/hyperactivity disorder boys and siblings Sonuga-Barke EJ, Kumsta R, Schlotz W, Lasky-Su J, Marco R, Miranda A, Mulas F, Oades RD, Banaschewski T, Mueller U, Andreou P, Christiansen H, Gabriels I, Uebel H, Kuntsi J, Franke B, Buitelaar J, Ebstein R, Gill M, Anney R, Roeyers H, Rothenberger A, Sergeant J, Steinhausen HC, Asherson P, Faraone SV 2011
Uncovering the complex behaviour of hydrogen in Cu2O Scanlon, D. O. and Watson, G. W. 2011
Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods T. Archer, C. D. Pemmaraju, S. Sanvito, C. Franchini, J. He, A. Filippetti, P. Delugas, D. Puggioni, V. Fiorentini, R. Tiwari and P. Majumdar 2011
Conductance of a phenylene-vinylene molecular wire: Contact gap and tilt angle dependence A. Bilic, Z. Crljen, B. Gumhalter, J.D. Gale, S. Sanvito; 2010
Strain-induced isosymmetric phase transition in BiFeO_3 A. J. Hatt, N. A. Spaldin, and C. Ederer 2010