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Publications

Title Authors Year
Electronic structure of metal quinoline molecules from G0 W0 calculations. A. Droghetti, M. Cinchetti, and S. Sanvito. 2014
Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe Scanlon,David O. D.O., Buckeridge,John J., Callow,C. Richard A. C.R.A., Watson,Graeme W. G.W. 2014
Spin transport properties of triarylamine-based nanowires. Sandip Bhattacharya, Akinlolu Akande, and Stefano Sanvito. 2014
The electronic structure of silver orthophosphate: Experiment and theory Kahk,Juhan Matthias J.M., Sheridan,D. L. D.L., Kehoe,Aoife B. A.B., Scanlon,David O. D.O., Morgan,Benjamin J. B.J., Watson,Graeme W. G.W., Payne,David J. D.J. 2014
Unusual Stacking variations in liquid- phase exfoliated Transition Metal Dichalcogenides. Aleksey Shmeliov, Mervyn Shannon, Peng Wang, Judy S. Kim, Eiji Okunishi, Peter D. Nellist, Kapildeb Dolui, Stefano Sanvito, and Valeria Nicolosi. 2014
Unexpected DNA affinity and sequence selectivity through core rigidity in guanidinium-based minor groove binders Nagle, P.S. McKeever, C. Rodriguez, F. Nguyen, B. Wilson, W.D. Rozas, I. 2014
Social dysfunction in schizophrenia: An investigation of the GAF scale's sensitivity to deficits in social cognition Robertson DA, Hargreaves A, Kelleher EB, Morris D, Gill M, Corvin A, Donohoe G 2013
Time-dependent electron transport through a strongly correlated quantum dot: multiple-probe open-boundary conditions approach A. Pertsova, M. Stamenova and S. Sanvito 2013
Convergence of density and hybrid functional defect calculations for compound semiconductors Peng, H., Scanlon, D.O., Stevanovic, V., Vidal, J., Watson, G.W., Lany, S. 2013
Brain-derived neurotrophic factor Val66Met polymorphism and early life adversity affect hippocampal volume Carballedo A, Morris D, Zill P, Fahey C, Reinhold E, Meisenzahl E, Bondy B, Gill M, Möller HJ, Frodl T 2013
S wave bottomonium states moving in a quark-gluon plasma from lattice NRQCD G.Aarts, C.Allton, S.Kim, M.P.Lombardo, M.B.Oktay, S.M.Ryan, D.K.Sinclair and J.-I.Skullerud 2013
Electronic structure of epitaxial sn-doped anatase grown on SrTiO 3(001) by dip coating Oropeza, F.E., Zhang, K.H.L., Palgrave, R.G., Regoutz, A., Egdell, R.G., Allen, J.P., Galea, N.M., Watson, G.W. 2013
Development of strategies for SNP detection in RNA-seq data: application to lymphoblastoid cell lines and evaluation using 1000 Genomes data Quinn EM, Cormican P, Kenny EM, Hill M, Anney R, Gill M, Corvin AP, Morris DW 2013
Ab Initio Calculation of Finite Temperature Charmonium Potentials P.W.M.Evans, C.R.Allton and J.-I.Skullerud 2013
Energy-band alignment of II-VI/Zn3P2 heterojunctions from x-ray photoemission spectroscopy Bosco, J.P., Scanlon, D.O., Watson, G.W., Lewis, N.S., Atwater, H.A. 2013
Implication of a Rare Deletion at Distal 16p11.2 in Schizophrenia Guha S, Rees E, Darvasi A, Ivanov D, Ikeda M, Bergen SE, Magnusson PK, Cormican P, Morris D, Gill M, Cichon S, Rosenfeld JA, Lee A, Gregersen PK, Kane JM, Malhotra AK, Rietschel M, Nöthen MM, Degenhardt F, Priebe L, Breuer R, Strohmaier J, Psych D, Ruderfer DM, Moran JL, Chambert KD, Sanders AR, Shi J, Kendler K, Riley B, O'Neill T, Walsh D, Malhotra D, Corvin A, Purcell S, Sklar P, Iwata N, Hultman CM, Sullivan PF, Sebat J, McCarthy S, Gejman PV, Levinson DF, Owen MJ, O'Donovan MC, Lencz T, Kirov G 2013
PbO2: From semi-metal to transparent conducting oxide by defect chemistry control Walsh, A.; Kehoe, A. B.; Temple, D. J.; Watson, G. W. and Scanlon, D. O. 2013
Spin- dependent electronic structure of the Co-Al(HP)3 interface. Sabine M ̈ller, Sabine Steil, Andrea Droghetti, Nicolas Grossmann, Stefano Sanvito, Velimir u Meded, Andrea Magri, Mario Ruben, Mirko Cinchetti, and Martin Aeschlimann. 2013
Non-covalent interactions: Complexes of guanidinium with DNA and RNA nucleobases Blanco, F., Kelly, B., Sanchez-Sanz, G., Trujillo, C., Alkorta, I., Elguero, J., Rozas, I. 2013
Elucidating the nature of pseudo Jahn-Teller distortions in Li xMnPO4: Combining density functional theory with soft and hard X-ray spectroscopy Piper, L.F.J., Quackenbush, N.F., Sallis, S., Scanlon, D.O., Watson, G.W., Nam, K.-W., Yang, X.-Q., (...), Whittingham, M.S. 2013
Neuropsychological Effects Of The CSMD1 Genome-Wide Associated Schizophrenia Risk Variant rs10503253 Donohoe G, Walters J, Hargreaves A, Rose EJ, Morris DW, Fahey C, Bellini S, Cummins E, Giegling I, Hartmann AM, Möller HJ, Muglia P, Owen MJ, Gill M, O'Donovan MC, Tropea D, Rujescu D, Corvin A 2013
Constrained- DFT method for accurate energy-level alignment of metal/molecule interfaces. A.M. Souza, I. Rungger, C.D. Pemmaraju, U. Schwingenschloegl, and S. Sanvito. 2013
A theoretical study on the aromaticity of benzene and related derivatives incorporating a C-C≡C-C fragment Dedicated to Professor Ibon Alkorta on the occasion of his 50th anniversary Sanchez-Sanz, G., Trujillo, C., Rozas, I., Elguero, J. 2013
Electronic structures of antimony oxides Allen, J.P., Carey, J.J., Walsh, A., Scanlon, D.O., Watson, G.W. 2013
Mood congruent psychotic symptoms and specific cognitive deficits in carriers of the novel schizophrenia risk variant at MIR-137 Cummings E, Donohoe G, Hargreaves A, Moore S, Fahey C, Dinan TG, McDonald C, O'Callaghan E, O'Neill FA, Waddington JL, Murphy KC, Morris DW, Gill M, Corvin A 2013