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Effect of Hubbard U on the construction of low energy Hamiltonians for LaMnO3 via maximally localized Wannier functions |
R. Kováčik and C. Ederer |
2011 |
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Spin transport in higher n-acene molecules |
R. Pilevarshahri, I. Rungger, T. Archer, S. Sanvito and N. Shahtahmassebi |
2011 |
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Mutation of Semaphorin-6A Disrupts Limbic and Cortical Connectivity and Models Neurodevelopmental Psychopathology |
Rünker AE, O'Tuathaigh C, Dunleavy M, Morris DW, Little GE, Corvin AP, Gill M, Henshall DC, Waddington JL, Mitchell KJ |
2011 |
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Current-induced energy barrier suppression for electromigration from first principles |
Ruoxing Zhang, Ivan Rungger, Stefano Sanvito and Shimin Hou |
2011 |
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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 |
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Magnetization profile for impurities in graphene nanoribbons |
S. R. Power, V. M. de Menezes, S. B. Fagan and M. S. Ferreira |
2011 |
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Uncovering the complex behaviour of hydrogen in Cu2O |
Scanlon, D. O. and Watson, G. W. |
2011 |
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Nature of the band gap and origin of the conductivity of PbO2 revealed by theory and experiment |
Scanlon, D. O.; Kehoe, A. B.; Watson, G. W.; Jones, M. O.; David, W. I. F.; Payne, D. J.; Egdell, R. G.; Edwards, P. P.; Walsh, A |
2011 |
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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 |
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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 |
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Functionality of promoter microsatellites of arginine vasopressin receptor 1A (AVPR1A): implications for autism |
Tansey KE, Hill MJ, Cochrane LE, Gill M, Anney RJ, Gallagher L |
2011 |
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Stereochemistry of post-transition metal oxides: revision of the classical lone pair model |
Walsh, A.; Payne, D. J.; Egdell R. G, and Watson, G. W. |
2011 |
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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 |
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Polaronic distortion and vacancy-induced magnetism in MgO |
A. Droghetti, C. D. Pemmaraju and S. Sanvito |
2010 |
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MgN: a new promising material for spintronic applications |
A. Droghetti, N. Baadji and S. Sanvito |
2010 |
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Strain-induced isosymmetric phase transition in BiFeO_3 |
A. J. Hatt, N. A. Spaldin, and C. Ederer |
2010 |
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Investigation of the Conducting Properties of a Photoswitching Dithienylethene Molecule |
Anders Odell, Anna Delin, Brje Johansson, Ivan Rungger, Stefano Sanvito |
2010 |
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An Anisotropic preconditioning for the Wilson fermion matrix on the
lattice |
Balint Joo, Robert Edwards, Michael Peardon |
2010 |
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Anomalous I-V curve in mono-atomic Carbon Chains |
Bo Song, Stefano Sanvito, Haiping Fang |
2010 |
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Selecting the components of nanotube-based sensors: a theoretical approach |
C. G. Rocha and M. S. Ferreira |
2010 |
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Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strand |
C.D. Pemmaraju, I. Rungger, X. Chen, A.R. Rocha, S. Sanvito |
2010 |
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Static images of novel, moveable objects learned through touch activate
visual area hMT+. |
Chan, J. S., Simões-Franklin, C., Garavan, H., & Newell, F. N. |
2010 |
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Exciton: A Code for Excitations in Materials |
Charles H. Patterson |
2010 |
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First Principles Calculation of the Structure and Dielectric Properties of Bi2Ti2O7 |
Charles H. Patterson |
2010 |
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Epitaxial strain effects in the spinel ferrites CoFe2O4 and NiFe2O4 from first principles |
D. Fritsch and C. Ederer |
2010 |