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Publications

Title Authors Year
Gate controlled spin pumping at a quantum spin Hall edge. A. Narayan, A. Hurley, and S. Sanvito. 2013
A structural study of N,N'-bis-aryl-N′′-acylguanidines O'Donovan, D.H., Kelly, B., Diez-Cecilia, E., Kitson, M., Rozas, I. 2013
Origin of the bipolar doping behavior of SnO from X-ray spectroscopy and density functional theory Quackenbush, N.F., Allen, J.P., Scanlon, D.O., Sallis, S., Hewlett, J.A., Nandur, A.S., Chen, B., (...), Piper, L.F.J. 2013
High Loading of Polygenic Risk for ADHD in Children With Comorbid Aggression Hamshere ML, Langley K, Martin J, Agha SS, Stergiakouli E, Anney RJ, Buitelaar J, Faraone SV, Lesch KP, Neale BM, Franke B, Sonuga-Barke E, Asherson P, Merwood A, Kuntsi J, Medland SE, Ripke S, Steinhausen HC, Freitag C, Reif A, Renner TJ, Romanos M, Romanos J, Warnke A, Meyer J, Palmason H, Vasquez AA, Lambregts-Rommelse N, Roeyers H, Biederman J, Doyle AE, Hakonarson H, Rothenberger A, Banaschewski T, Oades RD, McGough JJ, Kent L, Williams N, Owen MJ, Holmans P, O'Donovan MC, Thapar A 2013
Dynamical exchange interaction from time-dependent spin density functional theory. M. Stamenova and S. Sanvito. 2013
Copper(II) chloride promoted transformation of amines into guanidines and asymmetrical N,N'-disubstituted guanidines Kelly, B., Rozas, I. 2013
The band structure of WO3 and non-rigid-band behaviour in Na0.67WO3 derived from soft x-ray spectroscopy and density functional theory Chen, B, Laverock, J, Piper, LFJ, Preston, ARH, Cho, SW, DeMasi, A, Smith, KE, Scanlon, DO, Watson, GW, Egdell, RG, Glans, PA, Guo, JH 2013
Identification of risk loci with shared effects on five major psychiatric disorders: a genome-wide analysis Cross-Disorder Group of the Psychiatric Genomics Consortium, Smoller JW, Craddock N, Kendler K, Lee PH, Neale BM, Nurnberger JI, Ripke S, Santangelo S, Sullivan PF 2013
Ab-initio study on the possible doping strategies for MoS2 monolayers. K. Dolui, I. Rungger, C.D. Pemmaraju, and S. Sanvito. 2013
Solvent effects on guanidinium-anion interactions and the problem of guanidinium Y-aromaticity Rozas, I., Sanchez-Sanz, G., Alkorta, I., Elguero, J. 2013
Reducing the chemical expansion coefficient in ceria by addition of zirconia Bishop, SR, Marrocchelli, D, Fang, W, Amezawa, K, Yashiro, K, Watson, GW 2013
No evidence that common genetic risk variation is shared between schizophrenia and autism Vorstman JA, Anney RJ, Derks EM, Gallagher L, Gill M, de Jonge MV, van Engeland H, Kahn RS, Ophoff RA; Autism Genome Project, the International Schizophrenia Consortium 2013
Strategy for detection of electrostatic spin-crossover e↵ect in mag- netic molecules. A. Hurley and S. Sanvito. 2013
Synthesis, biological evaluation and molecular modeling study of 5-trifluoromethyl-Δ2-pyrazoline and isomeric 5/3-trifluoromethylpyrazole derivatives as anti-inflammatory agents R. Aggarwal, A. Bansal, I. Rozas, B. Kelly, P. Kaushik,, D. Kaushik 2013
Computational testing of trivalent dopants in CeO2 for improved high-kappa dielectric behaviour Keating, PRL, Scanlon, DO, Watson, GW 2013
Reflectance anisotropy of Si(111)-(3x1)Li and Ag surfaces S. Jorgji, J. F. McGilp and C. H. Patterson 2013
Many-body quasi- particles spectrum of Co doped ZnO: a GW perspective. I. Abdolhosseini Sarsari, C. D. Pemmaraju, Hadi Salamati, and S. Sanvito. 2013
Aminoalkyl derivatives of guanidine di-aromatic minor groove binders with antiprotozoal activity C. McKeever, M. Kaiser, I. Rozas 2013
Spin-pumping and inelastic electron tunneling spec- troscopy in topological insulators. A. Hurley, A. Narayan, and S. Sanvito. 2013
Antidepressant-like properties of three new α2-adrenoceptor antagonists Muguruza, C., Rodriguez, F., Rozas, I., Meana, J.J., Uriguen, L., Callado, L.F. 2013
Site specific order and magnetism in tetragonal Mn3 Ga thin films. Phys. Rev. Karsten Rode, Nadjib Baadji, Davide Betto, Yong-Chang Lau, H ̈seyin Kurt, M. Venkate- u san, Plamen Stamenov, Stefano Sanvito, J.M.D. Coey, Emiliano Fonda, Edwige Otero, Fadi Choueikani, Philippe Ohresser, Florence Porcher, and Gilles Andre 2013
Band alignment of rutile and anatase TiO2. Scanlon DO, Dunnill CW, Buckeridge J, Shevlin SA, Logsdail AJ, Woodley SM, Catlow CR, Powell MJ, Palgrave RG, Parkin IP, Watson GW, Keal TW, Sherwood P, Walsh A, Sokol AA 2013
Spin- Polarized Transport through Single-Molecule Magnet Mn6 Complexes. Eduard Cremades, Chaitanya Das Pemmaraju, Stefano Sanvito, and Eliseo Ruiz. 2013
Band gap engineering of In2O3 by alloying with Tl2O3 Scanlon, D.O., Regoutz, A., Egdell, R.G., Morgan, D.J., Watson, G.W. 2013
Origin of the n-type and p-type conductivity of MoS2 monolayers on a SiO2 substrate. Kapildeb Dolui, Ivan Rungger, and Stefano Sanvito. 2013