Publications 2007

2007 (36 articles)

A. Akande, S. Sanvito, "Exchange parameters from approximate self-interaction correction scheme", The Journal of Chemical Physics, 127, 2007, , 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, , Source
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
A. Reily Rocha, S. Sanvito, "Resonant magnetoresistance in organic spin valves (invited)", Journal of Applied Physics, 101, 2007, , Source
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
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. Sánchez-Portal, S. Sanvito, "Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids", Physical Review B, 75, 2007, , Source
C. Toher, S. Sanvito, "Efficient Atomic Self-Interaction Correction Scheme for Nonequilibrium Quantum Transport", Physical Review Letters, 99, 2007, , Source
D. Thompson, "Free Energy Balance Predicates Dendrimer Binding Multivalency at Molecular Printboards", Langmuir, 23, 2007, 8441-8451, 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, Function, and Bioinformatics, 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
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
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
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
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
G.J. Gorman, M.D. Piggott, C.C. Pain, "Shoreline approximation for unstructured mesh generation", Computers & Geosciences, 33, 2007, 666-677, 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
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 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
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", Physical Review E, 76, 2007, , 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
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
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
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
S. Monaghan, J. C. Greer, S. D. Elliott, "Atomic scale model interfaces between high-khafnium silicates and silicon", Physical Review B, 75, 2007, , Source
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
S. Sanvito, "Injecting and controlling spins in organic materials", Journal of Materials Chemistry, 17, 2007, 4455, Source
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
Stefano Sanvito, "Spintronics goes plastic", Nature Materials, 6, 2007, 803-804, Source
Stefano Sanvito, "Memoirs of a spin", Nature Nanotechnology, 2, 2007, 204-206, 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

Publications 2007

2007 (36 articles)

A. Akande, S. Sanvito, "Exchange parameters from approximate self-interaction correction scheme", The Journal of Chemical Physics, 127, 2007, , Source

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

A. Reily Rocha, S. Sanvito, "Resonant magnetoresistance in organic spin valves (invited)", Journal of Applied Physics, 101, 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. Sánchez-Portal, S. Sanvito, "Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids", Physical Review B, 75, 2007, , Source

C. Toher, S. Sanvito, "Efficient Atomic Self-Interaction Correction Scheme for Nonequilibrium Quantum Transport", Physical Review Letters, 99, 2007, , Source

D. Thompson, "Free Energy Balance Predicates Dendrimer Binding Multivalency at Molecular Printboards", Langmuir, 23, 2007, 8441-8451, 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, Function, and Bioinformatics, 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

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

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

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

G.J. Gorman, M.D. Piggott, C.C. Pain, "Shoreline approximation for unstructured mesh generation", Computers & Geosciences, 33, 2007, 666-677, 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

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 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

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", Physical Review E, 76, 2007, , 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

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

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

S. Monaghan, J. C. Greer, S. D. Elliott, "Atomic scale model interfaces between high-khafnium silicates and silicon", Physical Review B, 75, 2007, , Source

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

S. Sanvito, "Injecting and controlling spins in organic materials", Journal of Materials Chemistry, 17, 2007, 4455, Source

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

Stefano Sanvito, "Spintronics goes plastic", Nature Materials, 6, 2007, 803-804, Source

Stefano Sanvito, "Memoirs of a spin", Nature Nanotechnology, 2, 2007, 204-206, Source

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