Publications 2012

2012 (109 articles)

A. A. Christou, T. Kwiatkowski, M. Butkiewicz, A. Gulbis, C. W. Hergenrother, S. Duddy, A. Fitzsimmons, " Physical and dynamical characterisation of low $upDelta$VNEA (190491) 2000 FJ10", Astronomy & Astrophysics, 548, 2012 , A63, Source
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
A. Droghetti, D. Alf`e, S. Sanvito, " Assessment of density functional theory for iron(II) molecules across the spin-crossover transition,", The Journal of Chemical Physics, 137, 2012 , 124303, Source
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
Ahmet Tuna Bolukbasi, Jiri Vala, " Rigorous calculations of non-Abelian statistics in the Kitaev honeycomb model", New Journal of Physics, 14, 2012 , 045007, Source
Alberto Giacomello, Simone Meloni, Mauro Chinappi, Carlo Massimo Casciola, " Cassie-Baxter and Wenzel States on a Nanostructured Surface: Phase Diagram", Langmuir, 28, 2012 , 10764--10772, Source
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
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
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
Aurab Chakrabarty, Charles H. Patterson, " Transition levels of defects in ZnO: Total energy and Janak's theorem methods", J. Chem. Phys., 137, 2012 , 054709, Source
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
B. Egan, C.T. McCarthy, M.A. McCarthy, R.M. Frizzell, " Stress analysis of single-bolt", Composite Structures, 94, 2012 , 1038--1051, Source
Bo-Xue Tian, Leif A. Eriksson, " Catalytic Mechanism and Product Specificity of Oxidosqualene-Lanosterol Cyclase: A QM/MM Study", J. Phys. Chem. B, 116, 2012 , 13857--13862, Source
Brendan Kelly, Goar Sanchez-Sanz, Fernando Blanco, Isabel Rozas, " Cationtextendash$uppi$ vs. $uppi$textendash$uppi$ interactions: Complexes of 2-pyridinylguanidinium derivatives and aromatic systems,", Computational and Theoretical Chemistry, 998, 2012 , 64--73, Source
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 , 21, Source
Caroline Eozenou, Anaïs Vitorino Carvalho, Niamh Forde, Corinne Giraud-Delville, Laurence Gall, Pat Lonergan, Aurelie 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
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
Cathal O 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
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
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
Claire C Morgan, Kabita Shakya, Andrew Webb, Thomas A Walsh, Mark Lynch, Christine E Loscher, Heather J Ruskin, Mary J OConnell, " Colon cancer associated genes exhibit signatures of positive selection at functionally significant positions", BMC Evolutionary Biology, 12, 2012 , 114, Source
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
C. ODwyer, G. Gannon, D. McNulty, D. N. Buckley, D. Thompson, " Accommodating Curvature in a Highly Ordered Functionalized Metal Oxide Nanofiber: Synthesis", Chemistry of Materials, 24, 2012 , 3981--3992, Source
Colin ODowd, 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", Atmospheric Environment, 48, 2012 , 129--142, Source
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
Conor Long, " Potential Energy Mapping of the Excited-States of ($upeta$6-Arene)Cr(CO)3 Complexes: the Evolution Toward CO-Loss or Haptotropic Shift Processes", J. Phys. Chem. A, 116, 2012 , 6845--6850, Source
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
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
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
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
David Feller, John M. Simmie, " High-Level ab Initio Enthalpies of Formation of 2", J. Phys. Chem. A, 116, 2012 , 11768--11775, Source
David O. Scanlon, Graeme W. Watson, " On the possibility of p-type SnO2", Journal of Materials Chemistry, 22, 2012 , 25236, Source
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
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
D.J. ODwyer, N.P. ODowd, C.T. McCarthy, " Investigation of strain hardening effects under in-plane shear of unidirectional composite materials", Computational Materials Science, 64, 2012 , 179--182, Source
Dong-Feng Li, Noel P. ODowd, " Investigating Ductile Failure at the Microscale in Engineering Steels: A Micromechanical Finite Element Model", Volume 6: Materials and Fabrication, book, 2012 , , Source
Douglas J. Temple, Aoife B. Kehoe, Jeremy P. Allen, Graeme W. Watson, David O. Scanlon, " Geometry", J. Phys. Chem. C, 116, 2012 , 7334--7340, Source
D Weidt, L 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
E. P. Dowling, W. Ronan, G. Ofek, V. S. Deshpande, R. M. McMeeking, K. A. Athanasiou, J. P. 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
Fernando Blanco, Billy Egan, Laura Caboni, Jose Elguero, John OBrien, Thomas McCabe, Darren Fayne, Mary J. Meegan, David G. Lloyd, " Study ofE/ZIsomerization in a Series of Novel Non-ligand Binding Pocket Androgen Receptor Antagonists", Journal of Chemical Information and Modeling, 52, 2012 , 2387--2397, Source
Fernando Blanco, David G. Lloyd, Luis Miguel Azofra, Ibon Alkorta, Jose Elguero, " Theoretical studies of parent 1-, 2-, 3-pyrazolines and their methylated derivatives,", Structural Chemistry, 24, 2012 , 421--432, Source
Florentina Tofoleanu, Nicolae-Viorel Buchete, " Alzheimer A$upbeta$ peptide interactions with lipid membranes,", Prion, 6, 2012 , 339--345, Source
Florentina Tofoleanu, Nicolae-Viorel Buchete, " Molecular Interactions of Alzheimertextquotesingles A$upbeta$ Protofilaments with Lipid Membranes,", Journal of Molecular Biology, 421, 2012 , 572--586, Source
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
Grazia Cottone, Gianluca Lattanzi, Giovanni Ciccotti, Ron Elber, " Multiphoton Absorption of Myoglobin-Nitric Oxide Complex: Relaxation by D-NEMD of a Stationary State", J. Phys. Chem. B, 116, 2012 , 3397--3410, Source
G. S. OBrien, 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
Ian P. Clark, Michael W. George, Gregory M. Greetham, Emma C. Harvey, Conor Long, Jennifer C. Manton, Hazel McArdle, Mary T. Pryce, " Photochemistry of (e6-Anisole)Cr(CO)3 and (e6-Thioanisole)Cr(CO)3: Evidence for a Photoinduced Haptotropic Shift of the Thioanisole Ligand", J. Phys. Chem. A, 116, 2012 , 962--969, Source
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", Phys. Chem. Chem. Phys., 14, 2012 , 3435, Source
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
Jakub D. Baran, Wojciech Kolodziejczyk, 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
Javier Cerezo, Jose Zu~niga, Adolfo Bastida, Alberto Requena, Jose Pedro Ceron-Carrasco, Leif A. Eriksson, " Antioxidant Properties of $upbeta$-Carotene Isomers and Their Role in Photosystems: Insights from Ab Initio Simulations", The Journal of Physical Chemistry A, 116, 2012 , 3498--3506, Source
John M. Simmie, Judith Würmel, " Harmonising Production", ChemSusChem, 6, 2012 , 36--41, Source
John M. Simmie, " Kinetics and Thermochemistry of 2", J. Phys. Chem. A, 116, 2012 , 4528--4538, Source
Kevin S. Eccles, Robin E. Morrison, Stephen P. Stokes, Graham E. OMahony, John A. Hayes, Dawn M. Kelly, Noel M. OBoyle, Laszlo Fabian, Humphrey A. Moynihan, Anita R. Maguire, Simon E. Lawrence, " Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization", Crystal Growth & Design, 12, 2012 , 2969--2977, Source
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
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
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
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 textemdash PoS(Lattice 2012), book, 2012 , , Source
Liuming Liu, , Graham Moir, Michael Peardon, Sinead M. Ryan, Christopher E. Thomas, Pol Vilaseca, Jozef J. Dudek, Robert G. Edwards, Balint Joo, David G. Richards, " Excited and exotic charmonium spectroscopy from lattice QCD", Journal of High Energy Physics, 2012, 2012 , , Source
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
Luca Lamagna, Claudia Wiemer, Michele Perego, Sabina Spiga, Jesus Rodriguez, 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
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, 223, 2012 , 5155--5174, Source
Marcus J. Claesson, Ian B. Jeffery, Susana Conde, Susan E. Power, Eibhlis M. OConnor, Siobhan Cusack, Hugh M. B. Harris, Mairead Coakley, Bhuvaneswari Lakshminarayanan, Orla OSullivan, Gerald F. Fitzgerald, Jennifer Deane, Michael OConnor, Norma Harnedy, Kieran OConnor, Denis OMahony, Douwe van Sinderen, Martina Wallace, Lorraine Brennan, Catherine Stanton, Julian R. Marchesi, Anthony P. Fitzgerald, Fergus Shanahan, Colin Hill, R. Paul Ross, Paul W. OToole, " Gut microbiota composition correlates with diet and health in the elderly", Nature, 488, 2012 , 178--184, Source
Mathieu Salanne, Dario Marrocchelli, Graeme W. Watson, " Cooperative Mechanism for the Diffusion of Li+ Ions in LiMgSO4F", J. Phys. Chem. C, 116, 2012 , 18618--18625, Source
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
M E Dieckmann, G Sarri, G C Murphy, A Bret, L Romagnani, I Kourakis, M Borghesi, A Ynnerman, L OC Drury, " PIC simulation of a thermal anisotropy-driven Weibel instability in a circular rarefaction wave", New Journal of Physics, 14, 2012 , 023007, Source
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
Michael Nolan, Anna Iwaszuk, Hiroaki Tada, " Molecular Metal Oxide Cluster-Surface Modified Titanium(IV) Dioxide Photocatalysts", Australian Journal of Chemistry, 65, 2012 , 624, Source
Michael Nolan, " Charge transfer and formation of reduced Ce3+ upon adsorption of metal atoms at the ceria (110) surface", J. Chem. Phys., 136, 2012 , 134703, Source
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
Michael Nolan, Merid Legesse, Giorgos Fagas, " Surface orientation effects in crystalline-amorphous silicon interfaces", Phys. Chem. Chem. Phys., 14, 2012 , 15173, Source
Michael Nolan, Yaroslava Lykhach, Nataliya Tsud, Tomavs Skala, Thorsten Staudt, Kevin C. Prince, Vladimir Matolin, Jörg Libuda, " On the interaction of Mg with the (111) and (110) surfaces of ceria", Phys. Chem. Chem. Phys., 14, 2012 , 1293--1301, Source
Michael W. George, Conor Long, Mary T. Pryce, Xue-Zhong Sun, Khuong Q. Vuong, " A Combined Theoretical and Experimental Study on the Wavelength-Dependent Photophysics of ($upeta$6-benzene)Mo(CO)3", Organometallics, 31, 2012 , 268--272, Source
Mingming Tong, David J Browne, " Smoothed particle hydrodynamics modelling of the fluid flow and heat transfer in the weld pool during laser spot welding", IOP Conference Series: Materials Science and Engineering, 27, 2012 , 012080, Source
M. Mantega, I. Rungger, B. Naydenov, J. J. Boland, S. Sanvito, " Spectroscopic characterization of a single dangling bond on a bare Si(100)-c(4x2) surface forn- andp-type doping", Phys. Rev. B, 86, 2012 , , Source
Morad M. El-Hendawy, Jose-Antonio Garate, Niall J. English, Stephen OReilly, Damian A. Mooney, " Diffusion and interactions of carbon dioxide and oxygen in the vicinity of the active site of Rubisco: Molecular dynamics and quantum chemical studies,", The Journal of Chemical Physics, 137, 2012 , 145103, Source
Morad M. El-Hendawy, Niall J. English, Damian A. Mooney, " Mechanism of Atmospheric CO2 Fixation in the Cavities of a Dinuclear Cryptate", Inorganic Chemistry, 51, 2012 , 5282--5288, Source
Musashi Fujishima, Qiliang Jin, Hironori Yamamoto, Hiroaki Tada, Michael Nolan, " Tin oxide-surface modified anatase titanium(iv) dioxide with enhanced UV-light photocatalytic activity", Phys. Chem. Chem. Phys., 14, 2012 , 705--711, Source
Niall J. English, Ritwik S. Kavathekar, J.M.D. MacElroy, " Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO$less$sub$greater$2$less$/sub$greater$interfaces,", Molecular Physics, 110, 2012 , 2919--2925, Source
Nicolae-Viorel Buchete, " Unlocking the Atomic-Level Details of Amyloid Fibril Growth through Advanced Biomolecular Simulations,", Biophysical Journal, 103, 2012 , 1411--1413, Source
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
Nicola Varini, Niall J. English, Christian R. Trott, " Molecular Dynamics Simulations of Clathrate Hydrates on Specialised Hardware Platforms", Energies, 5, 2012 , 3526--3533, Source
Noeleen B. Loughran, Sara Hinde, Sally McCormick-Hill, Kevin G. Leidal, Sarah Bloomberg, Sinead T. Loughran, Brendan OConnor, Ciaran O'Fagain, William M. Nauseef, Mary J. OConnell, " Functional Consequence of Positive Selection Revealed through Rational Mutagenesis of Human Myeloperoxidase", Molecular Biology and Evolution, 29, 2012 , 2039--2046, Source
Noel M. Harrison, Pat McDonnell, Liam Mullins, Niall Wilson, Denis OMahoney, 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
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", J. Phys. Chem. C, 116, 2012 , 2443--2452, Source
Patrik Lambert, Simon Petitrenaud, Yanjun Ma, Andy Way, " What types of word alignment improve statistical machine translation?,", Machine Translation, 26, 2012 , 289--323, Source
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
Paulo Ditarso Maciel, Francisco Brasileiro, Ricardo Araujo 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
Pavle Mocilac, Katie Donnelly, John F. Gallagher, " Structural systematics and conformational analyses of a 3 x 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations", Acta Crystallographica Section B Structural Science, 68, 2012 , 189--203, Source
P. Cardiff, A. Karavc, A. Ivankovic, " Development of a finite volume contact solver based on the penalty method,", Computational Materials Science, 64, 2012 , 283--284, Source
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 , 224301, Source
P. Tzallas, E. Skantzakis, L. A. A. Nikolopoulos, D. Charalambidis, " Exploiting Energetic XUV Super-Continua,", Springer Proceedings in Physics, book, 2012 , 137--143, Source
Qiliang Jin, Musashi Fujishima, Michael Nolan, Anna, " Photocatalytic Activities of Tin(IV) Oxide Surface-Modified Titanium(IV) Dioxide Show a Strong Sensitivity to the TiO2 Crystal Form", J. Phys. Chem. C, 116, 2012 , 12621--12626, Source
R. Davi, G.S. OBrien, 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
R. Feuda, S. C. Hamilton, J. O. McInerney, D. Pisani, " Metazoan opsin evolution reveals a simple route to animal vision", Proceedings of the National Academy of Sciences, 109, 2012 , 18868--18872, Source
Riona Ni Ghriallais, Mark Bruzzi, " Self-expanding stent modelling and radial force accuracy", Computer Methods in Biomechanics and Biomedical Engineering, 17, 2012 , 318--333, Source
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
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
Run Long, Niall J English, " Band gap engineering of (N", New Journal of Physics, 14, 2012 , 053007, Source
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
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
Shane McDermott, J C Greer, " Many-electron scattering applied to atomic point contacts", Journal of Physics: Condensed Matter, 24, 2012 , 125602, Source
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 WHTding72", Monthly Notices of the Royal Astronomical Society, 429, 2012 , 63--74, Source
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
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
S. W. Verbruggen, T. J. Vaughan, L. 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
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
Trevor Tyson, Georgina O'Mahony Zamora, Simon Wong, Mairin 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 , 68, Source
William Ronan, Vikram S. Deshpande, Robert M. McMeeking, J. Patrick McGarry, " Numerical investigation of the active role of the actin cytoskeleton in the compression resistance of cells,", Journal of the Mechanical Behavior of Biomedical Materials, 14, 2012 , 143--157, Source

Supported By

File Browser Reference
Department FHERIS
NUI Galway
HEA Logo