Publications 2007

2007 (34 articles)

V. Nicolosi, P.-D. Nellist, S. Sanvito, E.-C. Cosgriff, S. Krishnamurthy, W.-J. Blau, M.-L.-H. Green, D. Vengust, D. Dvorsek, D. Mihailovic, G. Compagnini, J. Sloan, V. Stolojan, J.-D. Carey, S.-J. Pennycook, J.-N. Coleman, " Observation of van der Waals Driven Self-Assembly of MoSI Nanowires into a Low-Symmetry Structure Using Aberration-Corrected Electron Microscopy", Advanced Materials, 19, 2007 , 543--547, Source
Stefano Sanvito, " Organic electronics: Spintronics goes plastic", Nature Materials, 6, 2007 , 803--804, Source
Stefano Sanvito, " Organic electronics: Memoirs of a spin", Nature Nanotechnology, 2, 2007 , 204--206, Source
S. Sanvito, " Injecting and controlling spins in organic materials", Journal of Materials Chemistry, 17, 2007 , 4455, Source
S. OCallaghan, S. Monaghan, S. D. Elliott, J. C. Greer, " Stress in silicon interlayers at the SiOx∕Ge interface", Applied Physics Letters, 90, 2007 , 143511, Source
S. Monaghan, J. C. Greer, S. D. Elliott, " Atomic scale model interfaces between high-khafnium silicates and silicon", Phys. Rev. B, 75, 2007 , , Source
Rubik Asatryan, Joseph W. Bozzelli, John M. Simmie, " Thermochemistry for enthalpies and reaction paths of nitrous acid isomers", International Journal of Chemical Kinetics, 39, 2007 , 378--398, Source
M. Modreanu, M. Nolan, S.D. Elliott, O. Durand, B. Servet, G. Garry, H. Gehan, G. Huyberechts, E.L. Papadopoulou, M. Androulidaki, E. Aperathitis, " Optical and microstructural properties of p-type SrCu2O2: First principles modeling and experimental studies", Thin Solid Films, 515, 2007 , 8624--8631, Source
Michael Nolan, Sean O'Callaghan, Giorgos Fagas, James C. Greer, Thomas Frauenheim, " Silicon Nanowire Band Gap Modification", Nano Letters, 7, 2007 , 34--38, Source
M E Dieckmann, I Lerche, P K Shukla, L O C Drury, " Aspects of self-similar current distributions resulting from the plasma filamentation instability", New Journal of Physics, 9, 2007 , 10--10, Source
M E Dieckmann, A Bret, P K Shukla, " Comparing electrostatic instabilities driven by mildly and highly relativistic proton beams", Plasma Physics and Controlled Fusion, 49, 2007 , 1989--2004, Source
Maxim V. Fedorov, Jonathan M. Goodman, Stephan Schumm, " Solvent effects and hydration of a tripeptide in sodium halide aqueous solutions: an in silico study", Phys. Chem. Chem. Phys., 9, 2007 , 5423, Source
K. Stratford, J.-C. Desplat, P. Stansell, M. E. Cates, " Binary fluids under steady shear in three dimensions", Phys. Rev. E, 76, 2007 , , Source
Ivan Lokmer, Christopher J. Bean, Gilberto Saccorotti, Domenico Patan`e, " Moment-tensor inversion of LP events recorded on Etna in 2004 using constraints obtained from wave simulation tests", Geophysical Research Letters, 34, 2007 , , Source
Ivan Baran, Radka Svobodova Varekova, Laavanya Parthasarathi, Simon Suchomel, Fergal Casey, Denis C. Shields, " Identification of Potential Small Molecule Peptidomimetics Similar to Motifs in Proteins", Journal of Chemical Information and Modeling, 47, 2007 , 464--474, Source
G. Stenuit, S. Fahy, " First-principles calculations of the mechanical and structural properties ofGaNxAs1-x: Lattice and elastic constants", Phys. Rev. B, 76, 2007 , , Source
G.J. Gorman, M.D. Piggott, C.C. Pain, " Shoreline approximation for unstructured mesh generation", Computers & Geosciences, 33, 2007 , 666--677, Source
Giovanni Bellesia, Maxim V. Fedorov, Edward G. Timoshenko, " Molecular dynamics study of structural properties of -sheet assemblies formed by synthetic de novo oligopeptides", Physica A: Statistical Mechanics and its Applications, 373, 2007 , 455--476, Source
Giorgos Fagas, James C Greer, " Tunnelling in alkanes anchored to gold electrodes via amine end groups", Nanotechnology, 18, 2007 , 424010, Source
G. C. Murphy, T. Lery, S. O'Sullivan, D. Spicer, F. Bacciotti, A. Rosen, " Interacting jets from binary protostars", Astronomy & Astrophysics, 478, 2007 , 453--460, Source
F. J. Harewood, P. E. McHugh, " Modeling of Size Dependent Failure in Cardiovascular Stent Struts under Tension and Bending", Annals of Biomedical Engineering, 35, 2007 , 1539--1553, Source
D. Thompson, " Free Energy Balance Predicates Dendrimer Binding Multivalency at Molecular Printboards", Langmuir, 23, 2007 , 8441--8451, Source
D. R. Scannell, A. C. Frank, G. C. Conant, K. P. Byrne, M. Woolfit, K. H. Wolfe, " Independent sorting-out of thousands of duplicated gene pairs in two yeast species descended from a whole-genome duplication", Proceedings of the National Academy of Sciences, 104, 2007 , 8397--8402, Source
Davide Pisani, James A. Cotton, James O. McInerney, " Supertrees Disentangle the Chimerical Origin of Eukaryotic Genomes", Molecular Biology and Evolution, 24, 2007 , 1752--1760, Source
Damien Thompson, " In Silico Engineering of Tailored Ink-Binding Ability at Molecular Printboards", ChemPhysChem, 8, 2007 , 1684--1693, Source
Damien Thompson, Christine Lazennec, Pierre Plateau, Thomas Simonson, " Probing electrostatic interactions and ligand binding in aspartyl-tRNA synthetase through site-directed mutagenesis and computer simulations", Proteins: Structure, 71, 2007 , 1450--1460, Source
Damien Thompson, Christine Lazennec, Pierre Plateau, Thomas Simonson, " Ammonium Scanning in an Enzyme Active Site", Journal of Biological Chemistry, 282, 2007 , 30856--30868, Source
C. Toher, S. Sanvito, " Efficient Atomic Self-Interaction Correction Scheme for Nonequilibrium Quantum Transport", Phys. Rev. Lett., 99, 2007 , , Source
C Houghton, S Magee, " The effect of pion mass on Skyrme configurations", Europhysics Letters (EPL), 77, 2007 , 11001, Source
C. D. Pemmaraju, T. Archer, D. Sanchez-Portal, S. Sanvito, " Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids", Phys. Rev. B, 75, 2007 , , Source
A. R. Rocha, T. Archer, S. Sanvito, " Search for magnetoresistance in excess of 1000% in Ni point contacts: Density functional calculations", Phys. Rev. B, 76, 2007 , , Source
A. Reily Rocha, S. Sanvito, " Resonant magnetoresistance in organic spin valves (invited)", Journal of Applied Physics, 101, 2007 , 09B102, Source
Ahmed M. El-Nahas, Maria V. Navarro, John M. Simmie, Joseph W. Bozzelli, Henry J. Curran, Stephen Dooley, Wayne Metcalfe, " Enthalpies of Formation", J. Phys. Chem. A, 111, 2007 , 3727--3739, Source
A. Akande, S. Sanvito, " Exchange parameters from approximate self-interaction correction scheme", J. Chem. Phys., 127, 2007 , 034112, Source