Publications 2007

2007 (37 articles)

A. Akande, S. Sanvito, " Exchange parameters from approximate self-interaction correction scheme", J. Chem. Phys., 127, 2007 , 034112, Source
A. Ciardi, S. V. Lebedev, A. Frank, E. G. Blackman, J. P. Chittenden, C. J. Jennings, D. J. Ampleford, S. N. Bland, S. C. Bott, J. Rapley, G. N. Hall, F. A. Suzuki-Vidal, A. Marocchino, T. Lery, C. Stehle, " The evolution of magnetic tower jets in the laboratory,", Physics of Plasmas, 14, 2007 , 056501, 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. Reily Rocha, S. Sanvito, " Resonant magnetoresistance in organic spin valves (invited)", Journal of Applied Physics, 101, 2007 , 09B102, 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
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
C Houghton, S Magee, " The effect of pion mass on Skyrme configurations", Europhysics Letters (EPL), 77, 2007 , 11001, Source
C. Toher, S. Sanvito, " Efficient Atomic Self-Interaction Correction Scheme for Nonequilibrium Quantum Transport", Phys. Rev. Lett., 99, 2007 , , 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
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, " In Silico Engineering of Tailored Ink-Binding Ability at Molecular Printboards", ChemPhysChem, 8, 2007 , 1684--1693, 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
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
D. Thompson, " Free Energy Balance Predicates Dendrimer Binding Multivalency at Molecular Printboards", Langmuir, 23, 2007 , 8441--8451, 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
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
Giorgos Fagas, James C Greer, " Tunnelling in alkanes anchored to gold electrodes via amine end groups", Nanotechnology, 18, 2007 , 424010, 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
G.J. Gorman, M.D. Piggott, C.C. Pain, " Shoreline approximation for unstructured mesh generation", Computers & Geosciences, 33, 2007 , 666--677, 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
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
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
K. M. Giannoutakis, G. A. Gravvanis, B. Clayton, A. Patil, T. Enright, J. P. Morrison, " Matching high performance approximate inverse preconditioning to architectural platforms,", The Journal of Supercomputing, 42, 2007 , 145--163, 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
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
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
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
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. 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
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
Si^an A. Joyce, Jonathan R. Yates, Chris J. Pickard, Francesco Mauri, " A first principles theory of nuclear magnetic resonance J-coupling in solid-state systems,", The Journal of Chemical Physics, 127, 2007 , 204107, 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
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. Sanvito, " Injecting and controlling spins in organic materials", Journal of Materials Chemistry, 17, 2007 , 4455, Source
Stefano Sanvito, " Organic electronics: Memoirs of a spin", Nature Nanotechnology, 2, 2007 , 204--206, Source
Stefano Sanvito, " Organic electronics: Spintronics goes plastic", Nature Materials, 6, 2007 , 803--804, Source
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

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