Publications 2007

2007 (36 articles)

  1. A. Akande, S. Sanvito, "Exchange parameters from approximate self-interaction correction scheme", The Journal of Chemical Physics, 127, 2007, , Source
  2. 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, , Source
  3. A. R. Rocha, T. Archer, S. Sanvito, "Search for magnetoresistance in excess of 1000% in Ni point contacts: Density functional calculations", Physical Review B, 76, 2007, , Source
  4. A. Reily Rocha, S. Sanvito, "Resonant magnetoresistance in organic spin valves (invited)", Journal of Applied Physics, 101, 2007, , Source
  5. Ahmed M. El-Nahas, Maria V. Navarro, John M. Simmie, Joseph W. Bozzelli, Henry J. Curran, Stephen Dooley, Wayne Metcalfe, "Enthalpies of Formation, Bond Dissociation Energies and Reaction Paths for the Decomposition of Model Biofuels: Ethyl Propanoate and Methyl Butanoate", The Journal of Physical Chemistry A, 111, 2007, 3727-3739, Source
  6. C Houghton, S Magee, "The effect of pion mass on Skyrme configurations", Europhysics Letters (EPL), 77, 2007, 11001, Source
  7. C. D. Pemmaraju, T. Archer, D. Sánchez-Portal, S. Sanvito, "Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids", Physical Review B, 75, 2007, , Source
  8. C. Toher, S. Sanvito, "Efficient Atomic Self-Interaction Correction Scheme for Nonequilibrium Quantum Transport", Physical Review Letters, 99, 2007, , Source
  9. D. Thompson, "Free Energy Balance Predicates Dendrimer Binding Multivalency at Molecular Printboards", Langmuir, 23, 2007, 8441-8451, Source
  10. Damien Thompson, "In Silico Engineering of Tailored Ink‐Binding Ability at Molecular Printboards", ChemPhysChem, 8, 2007, 1684-1693, Source
  11. 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, Function, and Bioinformatics, 71, 2007, 1450-1460, Source
  12. Damien Thompson, Christine Lazennec, Pierre Plateau, Thomas Simonson, "Ammonium Scanning in an Enzyme Active Site", Journal of Biological Chemistry, 282, 2007, 30856-30868, Source
  13. 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
  14. Devin R. Scannell, A. Carolin Frank, Gavin C. Conant, Kevin P. Byrne, Megan Woolfit, Kenneth 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
  15. 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
  16. 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
  17. G. Stenuit, S. Fahy, "First-principles calculations of the mechanical and structural properties ofGaNxAs1−x: Lattice and elastic constants", Physical Review B, 76, 2007, , Source
  18. G.J. Gorman, M.D. Piggott, C.C. Pain, "Shoreline approximation for unstructured mesh generation", Computers & Geosciences, 33, 2007, 666-677, Source
  19. Giorgos Fagas, James C Greer, "Tunnelling in alkanes anchored to gold electrodes via amine end groups", Nanotechnology, 18, 2007, 424010, Source
  20. 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
  21. 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
  22. Ivan Lokmer, Christopher J. Bean, Gilberto Saccorotti, Domenico Patanè, "Moment‐tensor inversion of LP events recorded on Etna in 2004 using constraints obtained from wave simulation tests", Geophysical Research Letters, 34, 2007, , Source
  23. 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
  24. K. Stratford, J.-C. Desplat, P. Stansell, M. E. Cates, "Binary fluids under steady shear in three dimensions", Physical Review E, 76, 2007, , Source
  25. 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
  26. 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
  27. 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
  28. Maxim V. Fedorov, Jonathan M. Goodman, Stephan Schumm, "Solvent effects and hydration of a tripeptide in sodium halide aqueous solutions: an in silico study", Physical Chemistry Chemical Physics, 9, 2007, 5423, Source
  29. 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
  30. S. Monaghan, J. C. Greer, S. D. Elliott, "Atomic scale model interfaces between high-khafnium silicates and silicon", Physical Review B, 75, 2007, , Source
  31. S. O’Callaghan, S. Monaghan, S. D. Elliott, J. C. Greer, "Stress in silicon interlayers at the SiOx∕Ge interface", Applied Physics Letters, 90, 2007, , Source
  32. S. Sanvito, "Injecting and controlling spins in organic materials", Journal of Materials Chemistry, 17, 2007, 4455, Source
  33. Siân 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, , Source
  34. Stefano Sanvito, "Spintronics goes plastic", Nature Materials, 6, 2007, 803-804, Source
  35. Stefano Sanvito, "Memoirs of a spin", Nature Nanotechnology, 2, 2007, 204-206, Source
  36. 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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