Publications 2010

2010 (83 articles)

  1. A. Droghetti, C. D. Pemmaraju, S. Sanvito, "Polaronic distortion and vacancy-induced magnetism in MgO", Physical Review B, 81, 2010, , Source
  2. A.J.F. Stops, K.B. Heraty, M. Browne, F.J. O'Brien, P.E. McHugh, "A prediction of cell differentiation and proliferation within a collagen–glycosaminoglycan scaffold subjected to mechanical strain and perfusive fluid flow", Journal of Biomechanics, 43, 2010, 618-626, Source
  3. A.J.F. Stops, N.M. Harrison, M.G. Haugh, F.J. O’Brien, P.E. McHugh, "Local and regional mechanical characterisation of a collagen-glycosaminoglycan scaffold using high-resolution finite element analysis", Journal of the Mechanical Behavior of Biomedical Materials, 3, 2010, 292-302, Source
  4. Agnieszka I. Olbert, Michael Hartnett, Tomasz Dabrowski, "Assessment of Tc-99 monitoring within the western Irish Sea using a numerical model", Science of The Total Environment, 408, 2010, 3671-3682, Source
  5. Agnieszka I. Olbert, Michael Hartnett, Tomasz Dabrowski, Kevin Kelleher, "Effects of complex hydrodynamic processes on the horizontal and vertical distribution of Tc-99 in the Irish Sea", Science of The Total Environment, 409, 2010, 150-161, Source
  6. Amy FitzGerald, Diarmuid P. O'Donoghue, "Biologically inspired non-mendelian repair for constraint handling in evolutionary algorithms", Proceedings of the 12th annual conference companion on Genetic and evolutionary computation, , 2010, , Source
  7. Benjamin J. Morgan, Graeme W. Watson, "Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations", The Journal of Physical Chemistry C, 114, 2010, 2321-2328, Source
  8. C. D. Pemmaraju, I. Rungger, X. Chen, A. R. Rocha, S. Sanvito, "Ab initiostudy of electron transport in dry poly(G)-poly(C)A-DNA strands", Physical Review B, 82, 2010, , Source
  9. Charles H. Patterson, "Exciton: a code for excitations in materials", Molecular Physics, 108, 2010, 3181-3188, Source
  10. Chong-Wen Zhou, John M. Simmie, Henry J. Curran, "An ab initio/Rice-Ramsperger-Kassel-Marcus study of the hydrogen-abstraction reactions of methyl ethers, H3COCH3−x(CH3)x, x = 0–2, by ˙OH; mechanism and kinetics", Physical Chemistry Chemical Physics, 12, 2010, 7221, Source
  11. Claire C Morgan, Noeleen B Loughran, Thomas A Walsh, Alan J Harrison, Mary J O'Connell, "Positive selection neighboring functionally essential sites and disease-implicated regions of mammalian reproductive proteins", BMC Evolutionary Biology, 10, 2010, , Source
  12. Clara Moldovan, Damien Thompson, "Molecular dynamics of the “hydrophobic patch” that immobilizes hydrophobin protein HFBII on silicon", Journal of Molecular Modeling, 17, 2010, 2227-2235, Source
  13. D. Malyshev, S. Gabici, L. O'C. Drury, F. A. Aharonian, "A simple model for electron plasma heating in supernova remnants", Astronomy and Astrophysics, 521, 2010, A14, Source
  14. Daniel Burke, Nicholas Devaney, "Enhanced faint companion photometry and astrometry using wavelength diversity", Journal of the Optical Society of America A, 27, 2010, A246, Source
  15. Daniel Fritsch, Claude Ederer, "Epitaxial strain effects in the spinel ferritesCoFe2O4andNiFe2O4from first principles", Physical Review B, 82, 2010, , Source
  16. David O. Scanlon, Graeme W. Watson, "Stability, geometry, and electronic structure of an alternative I-III-VI2 material, CuScS2: A hybrid density functional theory analysis", Applied Physics Letters, 97, 2010, , Source
  17. David O. Scanlon, Kate G. Godinho, Benjamin J. Morgan, Graeme W. Watson, "Understanding conductivity anomalies in CuI-based delafossite transparent conducting oxides: Theoretical insights", The Journal of Chemical Physics, 132, 2010, , Source
  18. Dimitri Perrin, Heather J Ruskin, Martin Crane, "Model refinement through high-performance computing: an agent-based HIV example", Immunome Research, 6, 2010, S3, Source
  19. Dimitri Perrin, Heather J. Ruskin, Tohru Niwa, "Cell type-dependent, infection-induced, aberrant DNA methylation in gastric cancer", Journal of Theoretical Biology, 264, 2010, 570-577, Source
  20. Donald Gourley, Paolo Battino Viterbo, "A Sustainable Repository Infrastructure for Digital Humanities: The DHO Experience", Digital Heritage, , 2010, 473-481, Source
  21. Dong-Feng Li, Noel P. O’Dowd, Catrin M. Davies, Shu-Yan Zhang, "Evaluating the Mechanical Behavior of 316 Stainless Steel at the Microscale Using Finite Element Modelling and In-Situ Neutron Scattering", ASME 2010 Pressure Vessels and Piping Conference: Volume 6, Parts A and B, , 2010, , Source
  22. F. HAREWOOD, J. GROGAN, P. McHUGH, "A MULTISCALE APPROACH TO FAILURE ASSESSMENT IN DEPLOYMENT FOR CARDIOVASCULAR STENTS", Journal of Multiscale Modelling, 02, 2010, 1-22, Source
  23. F. Murphy-Armando, G. Fagas, J. C. Greer, "Deformation Potentials and Electron−Phonon Coupling in Silicon Nanowires", Nano Letters, 10, 2010, 869-873, Source
  24. Francine Kivlehan, Myriam Lefoix, Humphrey A. Moynihan, Damien Thompson, Vladimir I. Ogurtsov, Grégoire Herzog, Damien W.M. Arrigan, "Interaction of acridine-calix[4]arene with DNA at the electrified liquid|liquid interface", Electrochimica Acta, 55, 2010, 3348-3354, Source
  25. G. Black, H.J. Curran, S. Pichon, J.M. Simmie, V. Zhukov, "Bio-butanol: Combustion properties and detailed chemical kinetic model", Combustion and Flame, 157, 2010, 363-373, Source
  26. G. C. Murphy, J. Ferreira, C. Zanni, "Large scale magnetic fields in viscous resistive accretion disks", Astronomy and Astrophysics, 512, 2010, A82, Source
  27. G. C. Murphy, M. E. Dieckmann, A. Bret, L. O’ C. Drury, "Magnetic field amplification and electron acceleration to near-energy equipartition with ions by a mildly relativistic quasi-parallel plasma protoshock", Astronomy & Astrophysics, 524, 2010, A84, Source
  28. G. C. Murphy, M. E. Dieckmann, L. O’C. Drury, "Magnetic vortex growth in the transition layer of a mildly relativistic plasma shock", Physics of Plasmas, 17, 2010, , Source
  29. G. Gannon, J. C. Greer, J. A. Larsson, D. Thompson, "Molecular Dynamics Study of Naturally Occurring Defects in Self-Assembled Monolayer Formation", ACS Nano, 4, 2010, 921-932, Source
  30. G. S. O'Brien, I. Lokmer, C. J. Bean, "Statistical selection of the “best” seismic source mechanisms from inversions of synthetic volcanic long‐period events", Journal of Geophysical Research: Solid Earth, 115, 2010, , Source
  31. G. S. O’Brien, I. Lokmer, L. De Barros, C. J. Bean, G. Saccorotti, J.-P. Metaxian, D. Patane, "Time reverse location of seismic long-period events recorded on Mt Etna", Geophysical Journal International, 184, 2010, 452-462, Source
  32. Gareth C. Murphy, Mark E. Dieckmann, L. O'C. Drury, "Multidimensional Simulations of Magnetic Field Amplification and Electron Acceleration to Near-Energy Equipartition With Ions by a Mildly Relativistic Quasi-Parallel Plasma Collision", IEEE Transactions on Plasma Science, 38, 2010, 2985-2992, Source
  33. GARETH C. MURPHY, MARK E. DIECKMANN, LUKE O'C DRURY, "KINETIC PARTICLE-IN-CELL SIMULATIONS OF ASYMMETRIC QUASI-PARALLEL MILDLY RELATIVISTIC PLASMA COLLISIONS: FIELD AND ELECTRON DYNAMICS", International Journal of Modern Physics D, 19, 2010, 707-713, Source
  34. Gareth S. O’Brien, "3D rotated and standard staggered finite-difference solutions to Biot’s poroelastic wave equations: Stability condition and dispersion analysis", GEOPHYSICS, 75, 2010, T111-T119, Source
  35. Ian P. Clark, Michael W. George, Gregory M. Greetham, Emma C. Harvey, Conor Long, Jennifer C. Manton, Mary T. Pryce, "Excited State Dynamics and Activation Parameters of Remarkably Slow Photoinduced CO Loss from (η6-Benzene)Cr(CO)3 in n-Heptane Solution: A DFT and Picosecond-Time-Resolved Infrared Study", The Journal of Physical Chemistry A, 114, 2010, 11425-11431, Source
  36. Irene Yeriskin, Michael Nolan, "Doping of ceria surfaces with lanthanum: a DFT +Ustudy", Journal of Physics: Condensed Matter, 22, 2010, 135004, Source
  37. J. D. Baran, J. A. Larsson, R. A. J. Woolley, Yan Cong, P. J. Moriarty, A. A. Cafolla, K. Schulte, V. R. Dhanak, "Theoretical and experimental comparison of SnPc, PbPc, and CoPc adsorption on Ag(111)", Physical Review B, 81, 2010, , Source
  38. James A. Cotton, James O. McInerney, "Eukaryotic genes of archaebacterial origin are more important than the more numerous eubacterial genes, irrespective of function", Proceedings of the National Academy of Sciences, 107, 2010, 17252-17255, Source
  39. Javier Muñoz-García, Zoltán Neufeld, Colin Torney, "Nutrient exposure of chemotactic organisms in small-scale turbulent flows", New Journal of Physics, 12, 2010, 103043, Source
  40. Jerzy Moc, John M. Simmie, "Hydrogen Abstraction from n-Butanol by the Hydroxyl Radical: High Level Ab Initio Study of the Relative Significance of Various Abstraction Channels and the Role of Weakly Bound Intermediates", The Journal of Physical Chemistry A, 114, 2010, 5558-5564, Source
  41. Jonathan Mackey, Andrew J. Lim, "Dynamical models for the formation of elephant trunks in H ii regions", Monthly Notices of the Royal Astronomical Society, 403, 2010, 714-730, Source
  42. Karthika Raghavan, Heather J. Ruskin, Dimitri Perrin, Francois Goasmat, John Burns, "Computational Micromodel for Epigenetic Mechanisms", PLoS ONE, 5, 2010, e14031, Source
  43. Kate G. Godinho, John J. Carey, Benjamin J. Morgan, David O. Scanlon, Graeme W. Watson, "Understanding conductivity in SrCu2O2: stability, geometry and electronic structure of intrinsic defects from first principles", J. Mater. Chem., 20, 2010, 1086-1096, Source
  44. Kathryn L. Chapman, Gemma K. Kinsella, Alan Cox, Dan Donnelly, John B.C. Findlay, "Interactions of the Melanocortin-4 Receptor with the Peptide Agonist NDP-MSH", Journal of Molecular Biology, 401, 2010, 433-450, Source
  45. Konstantinos Drakakis, Francesco Iorio, Scott Rickard, "The enumeration of Costas arrays of order 28", 2010 IEEE Information Theory Workshop, , 2010, , Source
  46. Lida Ansari, Baruch Feldman, Giorgos Fagas, Jean-Pierre Colinge, James C. Greer, "Simulation of junctionless Si nanowire transistors with 3 nm gate length", Applied Physics Letters, 97, 2010, , Source
  47. Luiz F. C. Pereira, C. G. Rocha, A. Latgé, M. S. Ferreira, "A computationally efficient method for calculating the maximum conductance of disordered networks: Application to one-dimensional conductors", Journal of Applied Physics, 108, 2010, , Source
  48. M. Chernyakova, D. Malyshev, F. A. Aharonian, R. M. Crocker, D. I. Jones, "THE HIGH-ENERGY, ARCMINUTE-SCALE GALACTIC CENTER GAMMA-RAY SOURCE", The Astrophysical Journal, 726, 2010, 60, Source
  49. M. E. Dieckmann, G. C. Murphy, A. Meli, L. O. C. Drury, "Particle-in-cell simulation of a mildly relativistic collision of an electron-ion plasma carrying a quasi-parallel magnetic field", Astronomy and Astrophysics, 509, 2010, A89, Source
  50. M. Nolan, S. A. M. Tofail, "The atomic level structure of the TiO2–NiTi interface", Physical Chemistry Chemical Physics, 12, 2010, 9742, Source
  51. Mary J. O’Connell, "Selection and the Cell Cycle: Positive Darwinian Selection in a Well-Known DNA Damage Response Pathway", Journal of Molecular Evolution, 71, 2010, 444-457, Source
  52. Mary J. O’Connell, Noeleen B. Loughran, Thomas A. Walsh, Mark T. A. Donoghue, Karl J. Schmid, Charles Spillane, "A phylogenetic approach to test for evidence of parental conflict or gene duplications associated with protein-encoding imprinted orthologous genes in placental mammals", Mammalian Genome, 21, 2010, 486-498, Source
  53. Michael Nolan, "Hybrid density functional theory description of oxygen vacancies in the CeO2 (110) and (100) surfaces", Chemical Physics Letters, 499, 2010, 126-130, Source
  54. Michael Nolan, "Formation of Ce3+ at the cerium dioxide (110) surface by doping", Chemical Physics Letters, 492, 2010, 115-118, Source
  55. Michael Nolan, Syed A.M. Tofail, "Density functional theory simulation of titanium migration and reaction with oxygen in the early stages of oxidation of equiatomic NiTi alloy", Biomaterials, 31, 2010, 3439-3448, Source
  56. Nadjib Baadji, Stefan Kuck, Jens Brede, Germar Hoffmann, Roland Wiesendanger, Stefano Sanvito, "Controlled sequential dehydrogenation of single molecules by scanning tunneling microscopy", Physical Review B, 82, 2010, , Source
  57. Nicola M. Boyle, Anthony C. Coleman, Conor Long, Kate L. Ronayne, Wesley R. Browne, Ben L. Feringa, Mary T. Pryce, "Evidence for Cobalt−Cobalt Bond Homolysis and Wavelength-Dependent CO Loss in (μ2-Alkyne)Co2(CO)6 Complexes", Inorganic Chemistry, 49, 2010, 10214-10216, Source
  58. Noel M. Harrison, Peter E. McHugh, "Comparison of trabecular bone behavior in core and whole bone samples using high-resolution modeling of a vertebral body", Biomechanics and Modeling in Mechanobiology, 9, 2010, 469-480, Source
  59. P. A. Mulheran, M. Nolan, C. S. Browne, M. Basham, E. Sanville, R. A. Bennett, "Surface and interstitial Ti diffusion at the rutile TiO2(110) surface", Physical Chemistry Chemical Physics, 12, 2010, 9763, Source
  60. P. Mc Donnell, N. Harrison, S. Lohfeld, O. Kennedy, Y. Zhang, P.E. Mc Hugh, "Investigation of the mechanical interaction of the trabecular core with an external shell using rapid prototype and finite element models", Journal of the Mechanical Behavior of Biomedical Materials, 3, 2010, 63-76, Source
  61. P. McDonnell, N. Harrison, P.E. McHugh, "Investigation of the failure behaviour of vertebral trabecular architectures under uni-axial compression and wedge action loading conditions", Medical Engineering & Physics, 32, 2010, 569-576, Source
  62. Paul Delaney, James C. Greer, J. Andreas Larsson, "Spin-Polarization Mechanisms of the Nitrogen-Vacancy Center in Diamond", Nano Letters, 10, 2010, 610-614, Source
  63. Pavle Mocilac, Mark Tallon, Alan J. Lough, John F. Gallagher, "Synthesis, structural and conformational analysis of a 3 × 3 isomer grid based on nine methyl-N-(pyridyl)benzamides", CrystEngComm, 12, 2010, 3080, Source
  64. R. Davi, G.S. O'Brien, I. Lokmer, C.J. Bean, P. Lesage, M.M. Mora, "Moment tensor inversion of explosive long period events recorded on Arenal volcano, Costa Rica, constrained by synthetic tests", Journal of Volcanology and Geothermal Research, 194, 2010, 189-200, Source
  65. Ravindra Pushker, Jean-Marc Jacqué, Denis C. Shields, "Meta-Analysis To Test the Association of HIV-1 nef Amino Acid Differences and Deletions with Disease Progression", Journal of Virology, 84, 2010, 3644-3653, Source
  66. Ruairi Hanafin, Stefano Sanvito, "Oxygen defect origin of ferromagnetism in ZnCoO", Journal of Magnetism and Magnetic Materials, 322, 2010, 1209-1211, Source
  67. Ruairi Hanafin, Thomas Archer, Stefano Sanvito, "Magnetism of wurtzite CoO nanoclusters", Physical Review B, 81, 2010, , Source
  68. Run Long, Niall J. English, "Synergistic Effects on Band Gap-Narrowing in Titania by Codoping from First-Principles Calculations", Chemistry of Materials, 22, 2010, 1616-1623, Source
  69. Run Long, Niall J. English, "First-Principles Calculation of Synergistic (N, P)-Codoping Effects on the Visible-Light Photocatalytic Activity of Anatase TiO2", The Journal of Physical Chemistry C, 114, 2010, 11984-11990, Source
  70. Run Long, Niall J. English, "First‐principles calculation of electronic structure of V‐doped anatase TiO2", ChemPhysChem, 11, 2010, 2606-2611, Source
  71. Run Long, Niall J. English, "Electronic Structure and Origin of Visible-Light Activity of C-Doped Cubic In2O3 from First-Principles Calculations", The Journal of Physical Chemistry C, 114, 2010, 13942-13946, Source
  72. Run Long, Niall J. English, "Electronic properties of F/Zr co-doped anatase TiO2 photocatalysts from GGA +U calculations", Chemical Physics Letters, 498, 2010, 338-344, Source
  73. Run Long, Niall J. English, "Density functional theory studies of doping in titania", Molecular Simulation, 36, 2010, 618-632, Source
  74. Run Long, Niall J. English, Damian A. Mooney, "Electronic structures of N- and C-doped NiO from first-principles calculations", Physics Letters A, 374, 2010, 1184-1187, Source
  75. Stefano Sanvito, "Seeing the spin through", Nature, 467, 2010, 664-665, Source
  76. Stefano Sanvito, "The rise of spinterface science", Nature Physics, 6, 2010, 562-564, Source
  77. Thérèse A. Holton, Davide Pisani, "Deep Genomic-Scale Analyses of the Metazoa Reject Coelomata: Evidence from Single- and Multigene Families Analyzed Under a Supertree and Supermatrix Paradigm", Genome Biology and Evolution, 2, 2010, 310-324, Source
  78. Thomas Archer, Chaitanya Das Pemmaraju, Stefano Sanvito, "Magnetic interaction of Co ions near the (10\bar{1}0 ) ZnO surface", New Journal of Physics, 12, 2010, 083061, Source
  79. Tido Semmler, Ray McGrath, Susan Steele‐Dunne, Jenny Hanafin, Paul Nolan, Shiyu Wang, "Influence of climate change on heating and cooling energy demand in Ireland", International Journal of Climatology, 30, 2010, 1502-1511, Source
  80. Wayne K. Metcalfe, John M. Simmie, Henry J. Curran, "Ab Initio Chemical Kinetics of Methyl Formate Decomposition: The Simplest Model Biodiesel", The Journal of Physical Chemistry A, 114, 2010, 5478-5484, Source
  81. Wilco Hazeleger, Camiel Severijns, Tido Semmler, Simona Ştefănescu, Shuting Yang, Xueli Wang, Klaus Wyser, Emanuel Dutra, José M. Baldasano, Richard Bintanja, Philippe Bougeault, Rodrigo Caballero, Annica M. L. Ekman, Jens H. Christensen, Bart van den Hurk, Pedro Jimenez, Colin Jones, Per Kållberg, Torben Koenigk, Ray McGrath, Pedro Miranda, Twan van Noije, Tim Palmer, José A. Parodi, Torben Schmith, Frank Selten, Trude Storelvmo, Andreas Sterl, Honoré Tapamo, Martin Vancoppenolle, Pedro Viterbo, Ulrika Willén, "EC-Earth", Bulletin of the American Meteorological Society, 91, 2010, 1357-1364, Source
  82. Yi Yang, André L. Boehman, John M. Simmie, "Uniqueness in the low temperature oxidation of cycloalkanes", Combustion and Flame, 157, 2010, 2357-2368, Source
  83. Yi Yang, André L. Boehman, John M. Simmie, "Effects of molecular structure on oxidation reactivity of cyclic hydrocarbons: Experimental observations and conformational analysis", Combustion and Flame, 157, 2010, 2369-2379, Source

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