Publications 2012

2012 (109 articles)

  1. A. A. Christou, T. Kwiatkowski, M. Butkiewicz, A. Gulbis, C. W. Hergenrother, S. Duddy, A. Fitzsimmons, "Physical and dynamical characterisation of low ΔVNEA (190491) 2000 FJ10", Astronomy & Astrophysics, 548, 2012, A63, Source
  2. A. Droghetti, D. Alfè, S. Sanvito, "Assessment of density functional theory for iron(II) molecules across the spin-crossover transition", The Journal of Chemical Physics, 137, 2012, , Source
  3. A. Neronov, D. Malyshev, M. Chernyakova, A. Lutovinov, "Search for variable gamma-ray emission from the Galactic plane in theFermidata", Astronomy & Astrophysics, 543, 2012, L9, Source
  4. Aaron Martin, Conor Long, Robert J. Forster, Tia E. Keyes, "Near IR emitting BODIPY fluorophores with mega-stokes shifts", Chemical Communications, 48, 2012, 5617, Source
  5. Agnieszka I. Olbert, Tomasz Dabrowski, Stephen Nash, Michael Hartnett, "Regional modelling of the 21st century climate changes in the Irish Sea", Continental Shelf Research, 41, 2012, 48-60, Source
  6. Ahmet Tuna Bolukbasi, Jiri Vala, "Rigorous calculations of non-Abelian statistics in the Kitaev honeycomb model", New Journal of Physics, 14, 2012, 045007, Source
  7. Alberto Giacomello, Simone Meloni, Mauro Chinappi, Carlo Massimo Casciola, "Cassie–Baxter and Wenzel States on a Nanostructured Surface: Phase Diagram, Metastabilities, and Transition Mechanism by Atomistic Free Energy Calculations", Langmuir, 28, 2012, 10764-10772, Source
  8. Antoinette S. Perry, Gillian O'Hurley, Omer A. Raheem, Kevin Brennan, Simon Wong, Anthony O'Grady, Anne‐Marie Kennedy, Laure Marignol, Therese M. Murphy, Linda Sullivan, Ciara Barrett, Barbara Loftus, John Thornhill, Stephen M. Hewitt, Mark Lawler, Elaine Kay, Thomas Lynch, Donal Hollywood, "Gene expression and epigenetic discovery screen reveal methylation of SFRP2 in prostate cancer", International Journal of Cancer, 132, 2012, 1771-1780, Source
  9. Aoife Doherty, David Alvarez-Ponce, James O. McInerney, "Increased Genome Sampling Reveals a Dynamic Relationship between Gene Duplicability and the Structure of the Primate Protein–Protein Interaction Network", Molecular Biology and Evolution, 29, 2012, 3563-3573, Source
  10. Aurab Chakrabarty, Charles H. Patterson, "Transition levels of defects in ZnO: Total energy and Janak's theorem methods", The Journal of Chemical Physics, 137, 2012, , Source
  11. B. Egan, C.T. McCarthy, M.A. McCarthy, P.J. Gray, R.M. Frizzell, "Modelling a single-bolt countersunk composite joint using implicit and explicit finite element analysis", Computational Materials Science, 64, 2012, 203-208, Source
  12. B. Egan, C.T. McCarthy, M.A. McCarthy, R.M. Frizzell, "Stress analysis of single-bolt, single-lap, countersunk composite joints with variable bolt-hole clearance", Composite Structures, 94, 2012, 1038-1051, Source
  13. Bo-Xue Tian, Leif A. Eriksson, "Catalytic Mechanism and Product Specificity of Oxidosqualene-Lanosterol Cyclase: A QM/MM Study", The Journal of Physical Chemistry B, 116, 2012, 13857-13862, Source
  14. Brendan Kelly, Goar Sánchez-Sanz, Fernando Blanco, Isabel Rozas, "Cation–π vs. π–π interactions: Complexes of 2-pyridinylguanidinium derivatives and aromatic systems", Computational and Theoretical Chemistry, 998, 2012, 64-73, Source
  15. Brian K Meredith, Francis J Kearney, Emma K Finlay, Daniel G Bradley, Alan G Fahey, Donagh P Berry, David J Lynn, "Genome-wide associations for milk production and somatic cell score in Holstein-Friesian cattle in Ireland", BMC Genetics, 13, 2012, , Source
  16. C. Conway, F. Sharif, J. P. McGarry, P. E. McHugh, "A Computational Test-Bed to Assess Coronary Stent Implantation Mechanics Using a Population-Specific Approach", Cardiovascular Engineering and Technology, 3, 2012, 374-387, Source
  17. C. O'Dowd, S. Varghese, D. Martin, R. Flanagan, A. McKinstry, D. Ceburnis, J. Ovadnevaite, G. Martucci, J. Bialek, C. Monahan, H. Berresheim, A. Vaishya, T. Grigas, Z. McGraw, S.G. Jennings, B. Langmann, T. Semmler, R. McGrath, "The Eyjafjallajökull ash plume – Part 2: Simulating ash cloud dispersion with REMOTE", Atmospheric Environment, 48, 2012, 143-151, Source
  18. C. O’Dwyer, G. Gannon, D. McNulty, D. N. Buckley, D. Thompson, "Accommodating Curvature in a Highly Ordered Functionalized Metal Oxide Nanofiber: Synthesis, Characterization, and Multiscale Modeling of Layered Nanosheets", Chemistry of Materials, 24, 2012, 3981-3992, Source
  19. C.A. Sweeney, P.E. McHugh, J.P. McGarry, S.B. Leen, "Micromechanical methodology for fatigue in cardiovascular stents", International Journal of Fatigue, 44, 2012, 202-216, Source
  20. Caroline Eozenou, Anaïs Vitorino Carvalho, Niamh Forde, Corinne Giraud-Delville, Laurence Gall, Pat Lonergan, Aurélie Auguste, Gilles Charpigny, Christophe Richard, Maëlle Pannetier, Olivier Sandra, "FOXL2 Is Regulated During the Bovine Estrous Cycle and Its Expression in the Endometrium Is Independent of Conceptus-Derived Interferon Tau1", Biology of Reproduction, 87, 2012, , Source
  21. Cathal Ó Broin, L.A.A. Nikolopoulos, "An OpenCL implementation for the solution of the time-dependent Schrödinger equation on GPUs and CPUs", Computer Physics Communications, 183, 2012, 2071-2080, Source
  22. Chong‐Wen Zhou, John M. Simmie, Henry J. Curran, "Rate constants for hydrogen abstraction by HȮ2 from n‐butanol", International Journal of Chemical Kinetics, 44, 2012, 155-164, Source
  23. Claire C Morgan, Kabita Shakya, Andrew Webb, Thomas A Walsh, Mark Lynch, Christine E Loscher, Heather J Ruskin, Mary J O’Connell, "Colon cancer associated genes exhibit signatures of positive selection at functionally significant positions", BMC Evolutionary Biology, 12, 2012, , Source
  24. Colin O’Dowd, Darius Ceburnis, Jurgita Ovadnevaite, Giovanni Martucci, Jakub Bialek, Ciaran Monahan, Harald Berresheim, Aditya Vaishya, Tomas Grigas, S. Gerard Jennings, Philip McVeigh, Saji Varghese, Robert Flanagan, Damien Martin, Eoin Moran, Keith Lambkin, Tido Semmler, Cinzia Perrino, Ray McGrath, "The Eyjafjallajökull ash plume – Part I: Physical, chemical and optical characteristics", Atmospheric Environment, 48, 2012, 129-142, Source
  25. Conor Briody, Barry Duignan, Steve Jerrams, John Tiernan, "The implementation of a visco-hyperelastic numerical material model for simulating the behaviour of polymer foam materials", Computational Materials Science, 64, 2012, 47-51, Source
  26. Conor Long, "Potential Energy Mapping of the Excited-States of (η6-Arene)Cr(CO)3 Complexes: the Evolution Toward CO-Loss or Haptotropic Shift Processes", The Journal of Physical Chemistry A, 116, 2012, 6845-6850, Source
  27. D Weidt, Ł Figiel, M Buggy, "Prediction of energy absorption characteristics of aligned carbon nanotube/epoxy nanocomposites", IOP Conference Series: Materials Science and Engineering, 40, 2012, 012028, Source
  28. D.J. O’Dwyer, N.P. O’Dowd, C.T. McCarthy, "Investigation of strain hardening effects under in-plane shear of unidirectional composite materials", Computational Materials Science, 64, 2012, 179-182, Source
  29. Damien Thompson, Jens P. Hermes, Aidan J. Quinn, Marcel Mayor, "Scanning the Potential Energy Surface for Synthesis of Dendrimer-Wrapped Gold Clusters: Design Rules for True Single-Molecule Nanostructures", ACS Nano, 6, 2012, 3007-3017, Source
  30. Daniel K. Nevin, Martin B. Peters, Giorgio Carta, Darren Fayne, David G. Lloyd, "Integrated Virtual Screening for the Identification of Novel and Selective Peroxisome Proliferator-Activated Receptor (PPAR) Scaffolds", Journal of Medicinal Chemistry, 55, 2012, 4978-4989, Source
  31. Daniel Marbach, James C Costello, Robert Küffner, Nicole M Vega, Robert J Prill, Diogo M Camacho, Kyle R Allison, Manolis Kellis, James J Collins, Gustavo Stolovitzky, "Wisdom of crowds for robust gene network inference", Nature Methods, 9, 2012, 796-804, Source
  32. David Feller, John M. Simmie, "High-Level ab Initio Enthalpies of Formation of 2,5-Dimethylfuran, 2-Methylfuran, and Furan", The Journal of Physical Chemistry A, 116, 2012, 11768-11775, Source
  33. David O. Scanlon, Graeme W. Watson, "On the possibility of p-type SnO2", Journal of Materials Chemistry, 22, 2012, 25236, Source
  34. Davide Pisani, Roberto Feuda, Kevin J. Peterson, Andrew B. Smith, "Resolving phylogenetic signal from noise when divergence is rapid: A new look at the old problem of echinoderm class relationships", Molecular Phylogenetics and Evolution, 62, 2012, 27-34, Source
  35. Derek T. Cawley, Nicola Kelly, Andrew Simpkin, Fintan J. Shannon, J. Patrick McGarry, "Full and surface tibial cementation in total knee arthroplasty: A biomechanical investigation of stress distribution and remodeling in the tibia", Clinical Biomechanics, 27, 2012, 390-397, Source
  36. Dimpy Sharma, Hadi Hassanian Arefi, Giorgos Fagas, "Atomic basis sets for first-principles studies of Si nanowires", Computational and Theoretical Chemistry, 991, 2012, 32-39, Source
  37. Dong-Feng Li, Noel P. O’Dowd, "Investigating Ductile Failure at the Microscale in Engineering Steels: A Micromechanical Finite Element Model", Volume 6: Materials and Fabrication, Parts A and B, , 2012, , Source
  38. Douglas J. Temple, Aoife B. Kehoe, Jeremy P. Allen, Graeme W. Watson, David O. Scanlon, "Geometry, Electronic Structure, and Bonding in CuMCh2(M = Sb, Bi; Ch = S, Se): Alternative Solar Cell Absorber Materials?", The Journal of Physical Chemistry C, 116, 2012, 7334-7340, Source
  39. Enda P. Dowling, William Ronan, Gidon Ofek, Vikram S. Deshpande, Robert M. McMeeking, Kyriacos A. Athanasiou, J. Patrick McGarry, "The effect of remodelling and contractility of the actin cytoskeleton on the shear resistance of single cells: a computational and experimental investigation", Journal of The Royal Society Interface, 9, 2012, 3469-3479, Source
  40. Fernando Blanco, Billy Egan, Laura Caboni, José Elguero, John O’Brien, Thomas McCabe, Darren Fayne, Mary J. Meegan, David G. Lloyd, "Study of E/Z Isomerization in a Series of Novel Non-ligand Binding Pocket Androgen Receptor Antagonists", Journal of Chemical Information and Modeling, 52, 2012, 2387-2397, Source
  41. Fernando Blanco, David G. Lloyd, Luis Miguel Azofra, Ibon Alkorta, José Elguero, "Theoretical studies of parent 1-, 2-, 3-pyrazolines and their methylated derivatives", Structural Chemistry, 24, 2012, 421-432, Source
  42. Florentina Tofoleanu, Nicolae-Viorel Buchete, "Molecular Interactions of Alzheimer's Aβ Protofilaments with Lipid Membranes", Journal of Molecular Biology, 421, 2012, 572-586, Source
  43. Florentina Tofoleanu, Nicolae-Viorel Buchete, "Alzheimer Aβ peptide interactions with lipid membranes", Prion, 6, 2012, 339-345, Source
  44. G. S. O'Brien, T. Nissen-Meyer, C. J. Bean, "A Lattice Boltzmann Method for Elastic Wave Propagation in a Poisson Solid", Bulletin of the Seismological Society of America, 102, 2012, 1224-1234, Source
  45. Gleb Y. Solomentsev, Niall J. English, Damian A. Mooney, "Effects of external electromagnetic fields on the conformational sampling of a short alanine peptide", Journal of Computational Chemistry, 33, 2012, 917-923, Source
  46. Grazia Cottone, Gianluca Lattanzi, Giovanni Ciccotti, Ron Elber, "Multiphoton Absorption of Myoglobin–Nitric Oxide Complex: Relaxation by D-NEMD of a Stationary State", The Journal of Physical Chemistry B, 116, 2012, 3397-3410, Source
  47. Ian P. Clark, Michael W. George, Gregory M. Greetham, Emma C. Harvey, Conor Long, Jennifer C. Manton, Hazel McArdle, Mary T. Pryce, "Photochemistry of (η6-Anisole)Cr(CO)3 and (η6-Thioanisole)Cr(CO)3: Evidence for a Photoinduced Haptotropic Shift of the Thioanisole Ligand, a Picosecond Time-Resolved Infrared Spectroscopy and Density Functional Theory Investigation", The Journal of Physical Chemistry A, 116, 2012, 962-969, Source
  48. J.A. Grogan, S.B. Leen, P.E. McHugh, "Comparing coronary stent material performance on a common geometric platform through simulated bench testing", Journal of the Mechanical Behavior of Biomedical Materials, 12, 2012, 129-138, Source
  49. Jacek Zeglinski, Michael Nolan, Michael Bredol, Andrea Schatte, Syed A. M. Tofail, "Unravelling the specific site preference in doping of calcium hydroxyapatite with strontium from ab initio investigations and Rietveld analyses", Physical Chemistry Chemical Physics, 14, 2012, 3435, Source
  50. Jakub D. Baran, Wojciech Kołodziejczyk, Peter Larsson, Rajeev Ahuja, J. Andreas Larsson, "On the stability of single-walled carbon nanotubes and their binding strengths", Theoretical Chemistry Accounts, 131, 2012, , Source
  51. Javier Cerezo, José Zúñiga, Adolfo Bastida, Alberto Requena, José Pedro Cerón-Carrasco, Leif A. Eriksson, "Antioxidant Properties of β-Carotene Isomers and Their Role in Photosystems: Insights from Ab Initio Simulations", The Journal of Physical Chemistry A, 116, 2012, 3498-3506, Source
  52. John M. Simmie, "Kinetics and Thermochemistry of 2,5-Dimethyltetrahydrofuran and Related Oxolanes: Next Next-Generation Biofuels", The Journal of Physical Chemistry A, 116, 2012, 4528-4538, Source
  53. John M. Simmie, Judith Würmel, "Harmonising Production, Properties and Environmental Consequences of Liquid Transport Fuels from Biomass—2,5‐Dimethylfuran as a Case Study", ChemSusChem, 6, 2012, 36-41, Source
  54. Kevin S. Eccles, Robin E. Morrison, Stephen P. Stokes, Graham E. O’Mahony, John A. Hayes, Dawn M. Kelly, Noel M. O’Boyle, László Fábián, Humphrey A. Moynihan, Anita R. Maguire, Simon E. Lawrence, "Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization", Crystal Growth & Design, 12, 2012, 2969-2977, Source
  55. L Huijse, D Mehta, N Moran, K Schoutens, J Vala, "Supersymmetric lattice fermions on the triangular lattice: superfrustration and criticality", New Journal of Physics, 14, 2012, 073002, Source
  56. L. O'C. Drury, T. P. Downes, "Turbulent magnetic field amplification driven by cosmic ray pressure gradients", Monthly Notices of the Royal Astronomical Society, 427, 2012, 2308-2313, Source
  57. Lida Ansari, Baruch Feldman, Giorgos Fagas, Jean-Pierre Colinge, James C. Greer, "Subthreshold behavior of junctionless silicon nanowire transistors from atomic scale simulations", Solid-State Electronics, 71, 2012, 58-62, Source
  58. Lida Ansari, Giorgos Fagas, Jean-Pierre Colinge, James C. Greer, "A Proposed Confinement Modulated Gap Nanowire Transistor Based on a Metal (Tin)", Nano Letters, 12, 2012, 2222-2227, Source
  59. Liuming Liu, Graham Moir, Michael J. Peardon, Sinead Ryan, Christopher Thomas, Pol Vilaseca, Jozef Dudek, Robert Edwards, Balint Joo, David G. Richards, "Excited and exotic charmonium spectroscopy from lattice QCD", Proceedings of The 30th International Symposium on Lattice Field Theory — PoS(Lattice 2012), , 2012, , Source
  60. Liuming Liu, Graham Moir, Michael Peardon, Sinéad M. Ryan, Christopher E. Thomas, Pol Vilaseca, Jozef J. Dudek, Robert G. Edwards, Bálint Joó, David G. Richards, "Excited and exotic charmonium spectroscopy from lattice QCD", Journal of High Energy Physics, 2012, 2012, , Source
  61. Luca Lamagna, Claudia Wiemer, Michele Perego, Sabina Spiga, Jesús Rodríguez, David Santiago Coll, Maria Elena Grillo, Sylwia Klejna, Simon D. Elliott, "Mechanisms for Substrate-Enhanced Growth during the Early Stages of Atomic Layer Deposition of Alumina onto Silicon Nitride Surfaces", Chemistry of Materials, 24, 2012, 1080-1090, Source
  62. M E Dieckmann, G Sarri, G C Murphy, A Bret, L Romagnani, I Kourakis, M Borghesi, A Ynnerman, L O'C Drury, "PIC simulation of a thermal anisotropy-driven Weibel instability in a circular rarefaction wave", New Journal of Physics, 14, 2012, 023007, Source
  63. M. Abdalla, K. Rueangritsarakul, M. Jones, B. Osborne, M. Helmy, B. Roth, J. Burke, P. Nolan, P. Smith, M. Williams, "How Effective is Reduced Tillage–Cover Crop Management in Reducing N2O Fluxes from Arable Crop Soils?", Water, Air, & Soil Pollution, 223, 2012, 5155-5174, Source
  64. M. Chernyakova, A. Neronov, S. Molkov, D. Malyshev, A. Lutovinov, G. Pooley, "SUPERORBITAL MODULATION OF X-RAY EMISSION FROM GAMMA-RAY BINARY LSI +61 303", The Astrophysical Journal, 747, 2012, L29, Source
  65. M. Hardiman, T.J. Vaughan, C.T. McCarthy, "The effect of fibre constraint in the nanoindentation of fibrous composite microstructures: A finite element investigation", Computational Materials Science, 64, 2012, 162-167, Source
  66. M. Mantega, I. Rungger, B. Naydenov, J. J. Boland, S. Sanvito, "Spectroscopic characterization of a single dangling bond on a bare Si(100)-c(4×2) surface forn- andp-type doping", Physical Review B, 86, 2012, , Source
  67. Marcus J. Claesson, Ian B. Jeffery, Susana Conde, Susan E. Power, Eibhlís M. O’Connor, Siobhán Cusack, Hugh M. B. Harris, Mairead Coakley, Bhuvaneswari Lakshminarayanan, Orla O’Sullivan, Gerald F. Fitzgerald, Jennifer Deane, Michael O’Connor, Norma Harnedy, Kieran O’Connor, Denis O’Mahony, Douwe van Sinderen, Martina Wallace, Lorraine Brennan, Catherine Stanton, Julian R. Marchesi, Anthony P. Fitzgerald, Fergus Shanahan, Colin Hill, R. Paul Ross, Paul W. O’Toole, "Gut microbiota composition correlates with diet and health in the elderly", Nature, 488, 2012, 178-184, Source
  68. Mathieu Salanne, Dario Marrocchelli, Graeme W. Watson, "Cooperative Mechanism for the Diffusion of Li+ Ions in LiMgSO4F", The Journal of Physical Chemistry C, 116, 2012, 18618-18625, Source
  69. Michael Nolan, "First-Principles Prediction of New Photocatalyst Materials with Visible-Light Absorption and Improved Charge Separation: Surface Modification of Rutile TiO2 with Nanoclusters of MgO and Ga2O3", ACS Applied Materials & Interfaces, 4, 2012, 5863-5871, Source
  70. Michael Nolan, "Charge transfer and formation of reduced Ce3+ upon adsorption of metal atoms at the ceria (110) surface", The Journal of Chemical Physics, 136, 2012, , Source
  71. Michael Nolan, Anna Iwaszuk, Hiroaki Tada, "Molecular Metal Oxide Cluster-Surface Modified Titanium(IV) Dioxide Photocatalysts", Australian Journal of Chemistry, 65, 2012, 624, Source
  72. Michael Nolan, Merid Legesse, Giorgos Fagas, "Surface orientation effects in crystalline–amorphous silicon interfaces", Physical Chemistry Chemical Physics, 14, 2012, 15173, Source
  73. Michael Nolan, Yaroslava Lykhach, Nataliya Tsud, Tomáš Skála, Thorsten Staudt, Kevin C. Prince, Vladimír Matolín, Jörg Libuda, "On the interaction of Mg with the (111) and (110) surfaces of ceria", Phys. Chem. Chem. Phys., 14, 2012, 1293-1301, Source
  74. Mingming Tong, David J Browne, "Smoothed particle hydrodynamics modelling of the fluid flow and heat transfer in the weld pool during laser spot welding", IOP Conference Series: Materials Science and Engineering, 27, 2012, 012080, Source
  75. Morad M. El-Hendawy, José-Antonio Garate, Niall J. English, Stephen O’Reilly, Damian A. Mooney, "Diffusion and interactions of carbon dioxide and oxygen in the vicinity of the active site of Rubisco: Molecular dynamics and quantum chemical studies", The Journal of Chemical Physics, 137, 2012, , Source
  76. Morad M. El-Hendawy, Niall J. English, Damian A. Mooney, "Mechanism of Atmospheric CO2 Fixation in the Cavities of a Dinuclear Cryptate", Inorganic Chemistry, 51, 2012, 5282-5288, Source
  77. Musashi Fujishima, Qiliang Jin, Hironori Yamamoto, Hiroaki Tada, Michael Nolan, "Tin oxide-surface modified anatase titanium(iv) dioxide with enhanced UV-light photocatalytic activity", Phys. Chem. Chem. Phys., 14, 2012, 705-711, Source
  78. Niall J. English, Ritwik S. Kavathekar, J.M.D. MacElroy, "Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO2interfaces", Molecular Physics, 110, 2012, 2919-2925, Source
  79. Nicola Kelly, Noel M. Harrison, Pat McDonnell, J. Patrick McGarry, "An experimental and computational investigation of the post-yield behaviour of trabecular bone during vertebral device subsidence", Biomechanics and Modeling in Mechanobiology, 12, 2012, 685-703, Source
  80. Nicola Varini, Niall J. English, Christian R. Trott, "Molecular Dynamics Simulations of Clathrate Hydrates on Specialised Hardware Platforms", Energies, 5, 2012, 3526-3533, Source
  81. Nicolae-Viorel Buchete, "Unlocking the Atomic-Level Details of Amyloid Fibril Growth through Advanced Biomolecular Simulations", Biophysical Journal, 103, 2012, 1411-1413, Source
  82. Noel M. Harrison, Pat McDonnell, Liam Mullins, Niall Wilson, Denis O’Mahoney, Peter E. McHugh, "Failure modelling of trabecular bone using a non-linear combined damage and fracture voxel finite element approach", Biomechanics and Modeling in Mechanobiology, 12, 2012, 225-241, Source
  83. Noeleen B. Loughran, Sara Hinde, Sally McCormick-Hill, Kevin G. Leidal, Sarah Bloomberg, Sinéad T. Loughran, Brendan O’Connor, Ciarán Ó'Fágáin, William M. Nauseef, Mary J. O’Connell, "Functional Consequence of Positive Selection Revealed through Rational Mutagenesis of Human Myeloperoxidase", Molecular Biology and Evolution, 29, 2012, 2039-2046, Source
  84. P. Cardiff, A. Karač, A. Ivanković, "Development of a finite volume contact solver based on the penalty method", Computational Materials Science, 64, 2012, 283-284, Source
  85. P. Tzallas, E. Skantzakis, L. A. A. Nikolopoulos, D. Charalambidis, "Exploiting Energetic XUV Super-Continua", Springer Proceedings in Physics, , 2012, 137-143, Source
  86. Patrick R. L. Keating, David O. Scanlon, Benjamin J. Morgan, Natasha M. Galea, Graeme W. Watson, "Analysis of Intrinsic Defects in CeO2 Using a Koopmans-Like GGA+U Approach", The Journal of Physical Chemistry C, 116, 2012, 2443-2452, Source
  87. Patrik Lambert, Simon Petitrenaud, Yanjun Ma, Andy Way, "What types of word alignment improve statistical machine translation?", Machine Translation, 26, 2012, 289-323, Source
  88. Paul Nolan, Peter Lynch, Conor Sweeney, "Simulating the future wind energy resource of Ireland using the COSMO‐CLM model", Wind Energy, 17, 2012, 19-37, Source
  89. Paulo Ditarso Maciel, Francisco Brasileiro, Ricardo Araújo Santos, David Candeia, Raquel Lopes, Marcus Carvalho, Renato Miceli, Nazareno Andrade, Miranda Mowbray, "Business-driven short-term management of a hybrid IT infrastructure", Journal of Parallel and Distributed Computing, 72, 2012, 106-119, Source
  90. Pavle Mocilac, Katie Donnelly, John F. Gallagher, "Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships", Acta Crystallographica Section B Structural Science, 68, 2012, 189-203, Source
  91. Pratibha Dev, Saurabh Agrawal, Niall J. English, "Determining the appropriate exchange-correlation functional for time-dependent density functional theory studies of charge-transfer excitations in organic dyes", The Journal of Chemical Physics, 136, 2012, , Source
  92. Qiliang Jin, Musashi Fujishima, Michael Nolan, Anna, Iwaszuk, Hiroaki Tada, "Photocatalytic Activities of Tin(IV) Oxide Surface-Modified Titanium(IV) Dioxide Show a Strong Sensitivity to the TiO2 Crystal Form", The Journal of Physical Chemistry C, 116, 2012, 12621-12626, Source
  93. R. Davi, G.S. O'Brien, L. De Barros, I. Lokmer, C.J. Bean, P. Lesage, M.M. Mora, G.J. Soto, "Seismic source mechanisms of tremor recorded on Arenal volcano, Costa Rica, retrieved by waveform inversion", Journal of Volcanology and Geothermal Research, 213-214, 2012, 1-13, Source
  94. Ríona Ní Ghriallais, Mark Bruzzi, "Self-expanding stent modelling and radial force accuracy", Computer Methods in Biomechanics and Biomedical Engineering, 17, 2012, 318-333, Source
  95. Ritwik S. Kavathekar, Niall J. English, J.M.D. MacElroy, "Spatial distribution of adsorbed water layers at the TiO2 rutile and anatase interfaces", Chemical Physics Letters, 554, 2012, 102-106, Source
  96. Roberto Feuda, Sinead C. Hamilton, James O. McInerney, Davide Pisani, "Metazoan opsin evolution reveals a simple route to animal vision", Proceedings of the National Academy of Sciences, 109, 2012, 18868-18872, Source
  97. Ronan D. Murphy, Jennifer Conlon, Tayyaub Mansoor, Sorin Luca, Sara M. Vaiana, Nicolae-Viorel Buchete, "Conformational dynamics of human IAPP monomers", Biophysical Chemistry, 167, 2012, 1-7, Source
  98. Run Long, Niall J English, "Band gap engineering of (N, Si)-codoped TiO2from hybrid density functional theory calculations", New Journal of Physics, 14, 2012, 053007, Source
  99. S. Delaney, P. Dempsey, P. Duffy, T. P. Downes, "A new time-dependent finite-difference method for relativistic shock acceleration", Monthly Notices of the Royal Astronomical Society, 420, 2012, 3360-3367, Source
  100. S. R. Duddy, S. C. Lowry, A. Christou, S. D. Wolters, B. Rozitis, S. F. Green, P. R. Weissman, "Spectroscopic observations of unbound asteroid pairs using the WHT★", Monthly Notices of the Royal Astronomical Society, 429, 2012, 63-74, Source
  101. S. R. Duddy, S. C. Lowry, S. D. Wolters, A. Christou, P. Weissman, S. F. Green, B. Rozitis, "Physical and dynamical characterisation of the unbound asteroid pair 7343-154634", Astronomy & Astrophysics, 539, 2012, A36, Source
  102. Saurabh Agrawal, Pratibha Dev, Niall J. English, K. Ravindranathan Thampi, J. M. D. MacElroy, "A TD-DFT study of the effects of structural variations on the photochemistry of polyenedyes", Chem. Sci., 3, 2012, 416-424, Source
  103. Shane McDermott, J C Greer, "Many-electron scattering applied to atomic point contacts", Journal of Physics: Condensed Matter, 24, 2012, 125602, Source
  104. Stefaan W. Verbruggen, Ted J. Vaughan, Laoise M. McNamara, "Strain amplification in bone mechanobiology: a computational investigation of the in vivo mechanics of osteocytes", Journal of The Royal Society Interface, 9, 2012, 2735-2744, Source
  105. Suraj Soman, Gurmeet Singh Bindra, Avishek Paul, Robert Groarke, Jennifer C. Manton, Finn M. Connaughton, Martin Schulz, Danilo Dini, Conor Long, Mary T. Pryce, Johannes G. Vos, "Wavelength dependent photocatalytic H2 generation using iridium–Pt/Pd complexes", Dalton Transactions, 41, 2012, 12678, Source
  106. Tido Semmler, Ray McGrath, Shiyu Wang, "The impact of Arctic sea ice on the Arctic energy budget and on the climate of the Northern mid-latitudes", Climate Dynamics, 39, 2012, 2675-2694, Source
  107. Trevor Tyson, Georgina O'Mahony Zamora, Simon Wong, Máirin Skelton, Brian Daly, John T Jones, Eoin D Mulvihill, Benjamin Elsworth, Mark Phillips, Mark Blaxter, Ann M Burnell, "A molecular analysis of desiccation tolerance mechanisms in the anhydrobiotic nematode Panagrolaimus superbus using expressed sequenced tags", BMC Research Notes, 5, 2012, , Source
  108. Wenke Weinreich, Tina Tauchnitz, Patrick Polakowski, Maximilian Drescher, Stefan Riedel, Jonas Sundqvist, Konrad Seidel, Mahdi Shirazi, Simon D. Elliott, Susanne Ohsiek, Elke Erben, Bernhard Trui, "TEMAZ/O3 atomic layer deposition process with doubled growth rate and optimized interface properties in metal–insulator–metal capacitors", Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, 31, 2012, , Source
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