Publications 2020

2020 (193 articles)

  1. Abera Debebe Assamnew, Gizaw Mengistu Tsidu, "The performance of regional climate models driven by various general circulation models in reproducing observed rainfall over East Africa", Theoretical and Applied Climatology, 142, 2020, 1169-1189, Source
  2. Abhinav Saket, Rajarshi Tiwari, "Orbital Mott transition in two dimensional pyrochlore lattice", Journal of Physics: Condensed Matter, 32, 2020, 255601, Source
  3. Alessandro Lunghi, "Insights into the Spin-Lattice Dynamics of Organic Radicals Beyond Molecular Tumbling: A Combined Molecular Dynamics and Machine-Learning Approach", Applied Magnetic Resonance, 51, 2020, 1343-1356, Source
  4. Alessandro Lunghi, Stefano Sanvito, "The Limit of Spin Lifetime in Solid-State Electronic Spins", The Journal of Physical Chemistry Letters, 11, 2020, 6273-6278, Source
  5. Alessandro Lunghi, Stefano Sanvito, "Multiple spin–phonon relaxation pathways in a Kramer single-ion magnet", The Journal of Chemical Physics, 153, 2020, , Source
  6. Amy E. Kynman, Samantha Lau, Sean O. Dowd, Tobias Krämer, Adrian B. Chaplin, "Oxidative Addition of Biphenylene and Chlorobenzene to a Rh(CNC) Complex", European Journal of Inorganic Chemistry, 2020, 2020, 3899-3906, Source
  7. Andreas Hillmann, Martin Crane, Heather J. Ruskin, "Assessing the impact of HIV treatment interruptions using stochastic cellular Automata", Journal of Theoretical Biology, 502, 2020, 110376, Source
  8. Andrés F. Molina-Osorio, David Cheung, Colm O’Dwyer, Andrew A. Stewart, Manuel Dossot, Grégoire Herzog, Micheál D. Scanlon, "Self-Assembly of Porphyrin Nanostructures at the Interface between Two Immiscible Liquids", The Journal of Physical Chemistry C, 124, 2020, 6929-6937, Source
  9. Aneta Mathijsen, François Pierre Mathijsen, "Diasporic medical tourism: a scoping review of quantitative and qualitative evidence", Globalization and Health, 16, 2020, , Source
  10. Ángel Morales-García, Stephen Rhatigan, Michael Nolan, Francesc Illas, "On the use of DFT+U to describe the electronic structure of TiO2 nanoparticles: (TiO2)35 as a case study", The Journal of Chemical Physics, 152, 2020, , Source
  11. Antonia Trotta, J. Michio Clark, Adrian McGoldrick, Michael D Gilchrist, Aisling Ní Annaidh, "Biofidelic finite element modelling of brain trauma: Importance of the scalp in simulating head impact", International Journal of Mechanical Sciences, 173, 2020, 105448, Source
  12. Apostolos A. Christou, Galin Borisov, Aldo Dell’Oro, Seth A. Jacobson, Alberto Cellino, Eduardo Unda-Sanzana, "Population control of Mars Trojans by the Yarkovsky & YORP effects", Icarus, 335, 2020, 113370, Source
  13. Arantxa Davó-Quiñonero, Esther Bailón-García, Sergio López-Rodríguez, Jerónimo Juan-Juan, Dolores Lozano-Castelló, Max García-Melchor, Facundo C. Herrera, Eric Pellegrin, Carlos Escudero, Agustín Bueno-López, "Insights into the Oxygen Vacancy Filling Mechanism in CuO/CeO2 Catalysts: A Key Step Toward High Selectivity in Preferential CO Oxidation", ACS Catalysis, 10, 2020, 6532-6545, Source
  14. Arbresha Muriqi, Michael Nolan, "First principles study of reactions in alucone growth: the role of the organic precursor", Dalton Transactions, 49, 2020, 8710-8721, Source
  15. Arnaud Buchs, Olivier Petit, Philippe Roman, "Can social ecological economics of water reinforce the “big tent”?", Ecological Economics, 169, 2020, 106553, Source
  16. Ayoub Lasri, Viktorija Juric, Maité Verreault, Franck Bielle, Ahmed Idbaih, Alexander Kel, Brona Murphy, Marc Sturrock, "Phenotypic selection through cell death: stochastic modelling of O-6-methylguanine-DNA methyltransferase dynamics", Royal Society Open Science, 7, 2020, 191243, Source
  17. Ayuk M. Ako, Amal Cherian Kathalikkattil, Rory Elliott, Joaquín Soriano-López, Ian M. McKeogh, Muhammad Zubair, Nianyong Zhu, Max García-Melchor, Paul E. Kruger, Wolfgang Schmitt, "Synthetic Approaches to Metallo-Supramolecular CoII Polygons and Potential Use for H2O Oxidation", Inorganic Chemistry, 59, 2020, 14432-14438, Source
  18. Azizah M. Malebari, Darren Fayne, Seema M. Nathwani, Fiona O’Connell, Sara Noorani, Brendan Twamley, Niamh M. O’Boyle, Jacintha O’Sullivan, Daniela M. Zisterer, Mary J. Meegan, "β-Lactams with antiproliferative and antiapoptotic activity in breast and chemoresistant colon cancer cells", European Journal of Medicinal Chemistry, 189, 2020, 112050, Source
  19. Bhausaheb Dhokale, Arturo Susarrey‐Arce, Anna Pekkari, August Runemark, Kasper Moth‐Poulsen, Christoph Langhammer, Hanna Härelind, Michael Busch, Matthias Vandichel, Henrik Sundén, "Microwave‐heated γ‐Alumina Applied to the Reduction of Aldehydes to Alcohols", ChemCatChem, 12, 2020, 6344-6355, Source
  20. Brajesh Narayan, Arman Fathizadeh, Clark Templeton, Peng He, Shima Arasteh, Ron Elber, Nicolae-Viorel Buchete, Ron M. Levy, "The transition between active and inactive conformations of Abl kinase studied by rock climbing and Milestoning", Biochimica et Biophysica Acta (BBA) - General Subjects, 1864, 2020, 129508, Source
  21. Brajesh Narayan, Ye Yuan, Arman Fathizadeh, Ron Elber, Nicolae-Viorel Buchete, "Long-time methods for molecular dynamics simulations: Markov State Models and Milestoning", Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, , 2020, 215-237, Source
  22. C. P. Folsom, D. Ó Fionnagáin, L. Fossati, A. A. Vidotto, C. Moutou, P. Petit, D. Dragomir, J.-F. Donati, "Circumstellar environment of 55 Cancri", Astronomy & Astrophysics, 633, 2020, A48, Source
  23. Cara-Lena Nies, Michael Nolan, "DFT calculations of the structure and stability of copper clusters on MoS2", Beilstein Journal of Nanotechnology, 11, 2020, 391-406, Source
  24. Carl A Fogarty, Aoife M Harbison, Amy R Dugdale, Elisa Fadda, "How and why plants and human N-glycans are different: Insight from molecular dynamics into the “glycoblocks” architecture of complex carbohydrates", Beilstein Journal of Organic Chemistry, 16, 2020, 2046-2056, Source
  25. Carolina Villarreal D’Angelo, Aline A Vidotto, Alejandro Esquivel, Gopal Hazra, Allison Youngblood, "GJ 436b and the stellar wind interaction: simulations constraints using Ly α and H α transits", Monthly Notices of the Royal Astronomical Society, 501, 2020, 4383-4395, Source
  26. Caroline M. Storey, Audrius Kalpokas, Matthew R. Gyton, Tobias Krämer, Adrian B. Chaplin, "A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes", Chemical Science, 11, 2020, 2051-2057, Source
  27. Cecilia Chiaracane, Mark T. Mitchison, Archak Purkayastha, Géraldine Haack, John Goold, "Quasiperiodic quantum heat engines with a mobility edge", Physical Review Research, 2, 2020, , Source
  28. Christian Windt, Josh Davidson, John Ringwood, "Investigation of Turbulence Modeling for Point-Absorber-Type Wave Energy Converters", Energies, 14, 2020, 26, Source
  29. Ciarán O’Malley, Andrea Erxleben, Patrick McArdle, John M. Simmie, "Crystallization of Organic Salts from the Gas Phase: When Does Proton Transfer Take Place?", Crystal Growth & Design, 21, 2020, 23-27, Source
  30. Cristina Trujillo, Goar Sánchez-Sanz, José Elguero, Ibon Alkorta, "The Lewis acidities of gold(I) and gold(III) derivatives: a theoretical study of complexes of AuCl and AuCl3", Structural Chemistry, 31, 2020, 1909-1918, Source
  31. D Ó Fionnagáin, A A Vidotto, P Petit, C Neiner, W Manchester IV, C P Folsom, G Hallinan, "λ And: a post-main-sequence wind from a solar-mass star", Monthly Notices of the Royal Astronomical Society, 500, 2020, 3438-3453, Source
  32. D Pellegrino, G Kells, N Moran, J K Slingerland, "Constructing edge zero modes through domain wall angle conservation", Journal of Physics A: Mathematical and Theoretical, 53, 2020, 095006, Source
  33. D.L. Cheung, "Effect of surface structure on peptide adsorption on soft surfaces", Chemical Physics Letters, 758, 2020, 137929, Source
  34. Damien Thompson, Enrique del Barco, Christian A. Nijhuis, "Design principles of dual-functional molecular switches in solid-state tunnel junctions", Applied Physics Letters, 117, 2020, , Source
  35. Dan Wu, Donal F. O’Shea, "Potential for release of pulmonary toxic ketene from vaping pyrolysis of vitamin E acetate", Proceedings of the National Academy of Sciences, 117, 2020, 6349-6355, Source
  36. Daniel Giles, Brian McConnell, Frédéric Dias, "Modelling with Volna-OP2—Towards Tsunami Threat Reduction for the Irish Coastline", Geosciences, 10, 2020, 226, Source
  37. Daniel Giles, Eugene Kashdan, Dimitra M. Salmanidou, Serge Guillas, Frédéric Dias, "Performance analysis of Volna-OP2 – massively parallel code for tsunami modelling", Computers & Fluids, 209, 2020, 104649, Source
  38. Daniela Jacob, Claas Teichmann, Stefan Sobolowski, Eleni Katragkou, Ivonne Anders, Michal Belda, Rasmus Benestad, Fredrik Boberg, Erasmo Buonomo, Rita M. Cardoso, Ana Casanueva, Ole B. Christensen, Jens Hesselbjerg Christensen, Erika Coppola, Lesley De Cruz, Edouard L. Davin, Andreas Dobler, Marta Domínguez, Rowan Fealy, Jesus Fernandez, Miguel Angel Gaertner, Markel García-Díez, Filippo Giorgi, Andreas Gobiet, Klaus Goergen, Juan José Gómez-Navarro, Juan Jesús González Alemán, Claudia Gutiérrez, José M. Gutiérrez, Ivan Güttler, Andreas Haensler, Tomáš Halenka, Sonia Jerez, Pedro Jiménez-Guerrero, Richard G. Jones, Klaus Keuler, Erik Kjellström, Sebastian Knist, Sven Kotlarski, Douglas Maraun, Erik van Meijgaard, Paola Mercogliano, Juan Pedro Montávez, Antonio Navarra, Grigory Nikulin, Nathalie de Noblet-Ducoudré, Hans-Juergen Panitz, Susanne Pfeifer, Marie Piazza, Emanuela Pichelli, Joni-Pekka Pietikäinen, Andreas F. Prein, Swantje Preuschmann, Diana Rechid, Burkhardt Rockel, Raquel Romera, Enrique Sánchez, Kevin Sieck, Pedro M. M. Soares, Samuel Somot, Lidija Srnec, Silje Lund Sørland, Piet Termonia, Heimo Truhetz, Robert Vautard, Kirsten Warrach-Sagi, Volker Wulfmeyer, "Regional climate downscaling over Europe: perspectives from the EURO-CORDEX community", Regional Environmental Change, 20, 2020, , Source
  39. David L. Cheung, "Effect of surface chemistry on islet amyloid polypeptide conformation", Biointerphases, 15, 2020, , Source
  40. Dominic Cheuk, Jacek Zeglinski, Renuka Krishnaraj, Åke C. Rasmuson, "Influence of solvent on crystal nucleation of benzocaine", CrystEngComm, 22, 2020, 8330-8342, Source
  41. Đorđe Dangić, Éamonn D. Murray, Stephen Fahy, Ivana Savić, "Structural and thermal transport properties of ferroelectric domain walls in GeTe from first principles", Physical Review B, 101, 2020, , Source
  42. Ðorđe Dangić, Stephen Fahy, Ivana Savić, "Giant thermoelectric power factor in charged ferroelectric domain walls of GeTe with Van Hove singularities", npj Computational Materials, 6, 2020, , Source
  43. E. Garlatti, L. Tesi, A. Lunghi, M. Atzori, D. J. Voneshen, P. Santini, S. Sanvito, T. Guidi, R. Sessoli, S. Carretta, "Unveiling phonons in a molecular qubit with four-dimensional inelastic neutron scattering and density functional theory", Nature Communications, 11, 2020, , Source
  44. E.M. O'Hara, B. Phelan, S. Osgerby, R.A. Barrett, R. Raghavendra, S.B. Leen, N.M. Harrison, "Experimental and computational characterization of the effect of manufacturing-induced defects on high temperature, low-cycle fatigue for MarBN", Materialia, 12, 2020, 100683, Source
  45. Eanna Fennell, Juliane Kamphus, Jacques M. Huyghe, "The Importance of the Mixing Energy in Ionized Superabsorbent Polymer Swelling Models", Polymers, 12, 2020, 609, Source
  46. Eanna Fennell, Szymon Leszczynski, Juliane Kamphus, Jacques M. Huyghe, "A strain induced softening and hardening constitutive model for superabsorbent polymers undergoing finite deformation", International Journal of Engineering Science, 154, 2020, 103346, Source
  47. Edgar Galvan, Fergal Stapleton, "Semantic-based Distance Approaches in Multi-objective Genetic Programming", 2020 IEEE Symposium Series on Computational Intelligence (SSCI), , 2020, , Source
  48. Eoin O’Connor, Rebecca A. Owens, Sean Doyle, Aniça Amini, Helen Grogan, David A. Fitzpatrick, "Proteomic investigation of interhyphal interactions between strains of Agaricus bisporus", Fungal Biology, 124, 2020, 579-591, Source
  49. Etienne V. Brouillet, Alan R. Kennedy, Tobias Krämer, Robert E. Mulvey, Stuart D. Robertson, Alexander Stewart, Stephen Towie, "Synthesis, Structure, and DFT Analysis of the THF Solvate of 2‐Picolyllithium: A 2‐Picolyllithium Solvate with Significant Carbanionic Character", Zeitschrift für anorganische und allgemeine Chemie, 646, 2020, 726-733, Source
  50. Fahad Alshehri, Mohamed Sultan, Sita Karki, Essam Alwagdani, Saleh Alsefry, Hassan Alharbi, Hossein Sahour, Neil Sturchio, "Mapping the Distribution of Shallow Groundwater Occurrences Using Remote Sensing-Based Statistical Modeling over Southwest Saudi Arabia", Remote Sensing, 12, 2020, 1361, Source
  51. Federico Caruso, Craig Meskell, "Effect of the axial gap on the energy consumption of a single-blade wastewater pump", Proceedings of the Institution of Mechanical Engineers, Part A: Journal of Power and Energy, 235, 2020, 432-439, Source
  52. Fred Valdez Ameneyro, Edgar Galvan, Angel Fernando Kuri Morales, "Playing Carcassonne with Monte Carlo Tree Search", 2020 IEEE Symposium Series on Computational Intelligence (SSCI), , 2020, , Source
  53. Gary McGuire, Oisín Robinson, "Lattice Sieving in Three Dimensions for Discrete Log in Medium Characteristic", Journal of Mathematical Cryptology, 15, 2020, 223-236, Source
  54. Gerard Pareras, Davide Tiana, Albert Poater, "MOF Encapsulation of Ru Olefin Metathesis Catalysts to Block Catalyst Decomposition", Catalysts, 10, 2020, 687, Source
  55. Goar Sánchez‐Sanz, Cristina Trujillo, Ibon Alkorta, José Elguero, "Rivalry between Regium and Hydrogen Bonds Established within Diatomic Coinage Molecules and Lewis Acids/Bases", ChemPhysChem, 21, 2020, 2557-2563, Source
  56. Harlei Martin, Tara Somers, Mathew Dwyer, Ryan Robson, Frederick M. Pfeffer, Ragnar Bjornsson, Tobias Krämer, Kevin Kavanagh, Trinidad Velasco-Torrijos, "Scaffold diversity for enhanced activity of glycosylated inhibitors of fungal adhesion", RSC Medicinal Chemistry, 11, 2020, 1386-1401, Source
  57. Hélie Moreau, Loïc de Jamblinne de Meux, Vanessa Zeller, Pierre D’Ans, Coline Ruwet, Wouter M.J. Achten, "Dockless E-Scooter: A Green Solution for Mobility? Comparative Case Study between Dockless E-Scooters, Displaced Transport, and Personal E-Scooters", Sustainability, 12, 2020, 1803, Source
  58. Hessa H. Al Rasheed, Azizah M. Malebari, Kholood A. Dahlous, Darren Fayne, Ayman El-Faham, "Synthesis, Anti-proliferative Activity, and Molecular Docking Study of New Series of 1,3-5-Triazine Schiff Base Derivatives", Molecules, 25, 2020, 4065, Source
  59. Hussein A. Younus, Yan Zhang, Matthias Vandichel, Nazir Ahmad, Kari Laasonen, Francis Verpoort, Ce Zhang, Shiguo Zhang, "Water Oxidation at Neutral pH using a Highly Active Copper‐Based Electrocatalyst", ChemSusChem, 13, 2020, 5088-5099, Source
  60. Ian S. Reynolds, Valentina Thomas, Emer O’Connell, Michael Fichtner, Deborah A. McNamara, Elaine W. Kay, Jochen H. M. Prehn, John P. Burke, Simon J. Furney, "Mucinous Adenocarcinoma of the Rectum: A Whole Genome Sequencing Study", Frontiers in Oncology, 10, 2020, , Source
  61. Ibon Alkorta, Cristina Trujillo, Goar Sánchez-Sanz, José Elguero, "Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)", Crystals, 10, 2020, 137, Source
  62. Ibon Alkorta, José Elguero, Cristina Trujillo, Goar Sánchez-Sanz, "Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study", International Journal of Molecular Sciences, 21, 2020, 8036, Source
  63. Iñigo Iribarren, Cristina Trujillo, "Improving phase-transfer catalysis by enhancing non-covalent interactions", Physical Chemistry Chemical Physics, 22, 2020, 21015-21021, Source
  64. Iñigo Iribarren, Goar Sánchez-Sanz, Cristina Trujillo, "Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds", Molecules, 25, 2020, 798, Source
  65. J Mackey, S Green, M Moutzouri, "Simulations of Magnetised Stellar-Wind Bubbles", Journal of Physics: Conference Series, 1620, 2020, 012012, Source
  66. J. Cao, J.D. Querales-Flores, S. Fahy, I. Savić, "Thermally induced band gap increase and high thermoelectric figure of merit of n-type PbTe", Materials Today Physics, 12, 2020, 100172, Source
  67. J. M. Simmie, K. P. Somers, "Snakes on the Rungs of Jacob’s Ladder: Anomalous Vibrational Spectra from Double-Hybrid DFT Methods", The Journal of Physical Chemistry A, 124, 2020, 6899-6902, Source
  68. Jaap N. Louwen, Stanislav Simko, Katarina Stanciakova, Rosa E. Bulo, Bert M. Weckhuysen, Eelco T. C. Vogt, "Role of Rare Earth Ions in the Prevention of Dealumination of Zeolite Y for Fluid Cracking Catalysts", The Journal of Physical Chemistry C, 124, 2020, 4626-4636, Source
  69. Jagdeep Grover, Cristina Trujillo, Mona Saad, Ganapathi Emandi, Nikolina Stipaničev, Stefan S. R. Bernhard, Aurore Guédin, Jean-Louis Mergny, Mathias O. Senge, Isabel Rozas, "Dual-binding conjugates of diaromatic guanidines and porphyrins for recognition of G-quadruplexes", Organic & Biomolecular Chemistry, 18, 2020, 5617-5624, Source
  70. Jamie McGowan, David A. Fitzpatrick, "Recent advances in oomycete genomics", Advances in Genetics, , 2020, 175-228, Source
  71. Jazib Hassan, Ronan M. O'Higgins, Conor T. McCarthy, Nathalie Toso, Michael A. McCarthy, "Mesoscale modelling of extended bearing failure in tension-absorber joints", International Journal of Mechanical Sciences, 182, 2020, 105777, Source
  72. Jennifer Power, Kieran P. Somers, Shashank S. Nagaraja, Weronika Wyrebak, Henry J. Curran, "Theoretical Study of the Reaction of Hydrogen Atoms with Three Pentene Isomers: 2-Methyl-1-butene, 2-Methyl-2-butene, and 3-Methyl-1-butene", The Journal of Physical Chemistry A, 124, 2020, 10649-10666, Source
  73. Jeroen Kint, Felix Mattelaer, Sofie S. T. Vandenbroucke, Arbresha Muriqi, Matthias M. Minjauw, Mikko Nisula, Philippe M. Vereecken, Michael Nolan, Jolien Dendooven, Christophe Detavernier, "Molecular Layer Deposition of “Magnesicone”, a Magnesium-based Hybrid Material", Chemistry of Materials, 32, 2020, 4451-4466, Source
  74. Ji Liu, Hongliang Lu, David Wei Zhang, Michael Nolan, "Reaction Mechanism of the Metal Precursor Pulse in Plasma-Enhanced Atomic Layer Deposition of Cobalt and the Role of Surface Facets", The Journal of Physical Chemistry C, 124, 2020, 11990-12000, Source
  75. Jia-Jia Tao, Hong-Ping Ma, Kai-Ping Yuan, Yang Gu, Jian-Wei Lian, Xiao-Xi Li, Wei Huang, Michael Nolan, Hong-Liang Lu, David-Wei Zhang, "Modification of 1D TiO2 nanowires with GaOxNy by atomic layer deposition for TiO2@GaOxNy core–shell nanowires with enhanced photoelectrochemical performance", Nanoscale, 12, 2020, 7159-7173, Source
  76. Jinhu Liang, Wenlin Jia, Yanjin Sun, Quan‐De Wang, "Skeletal chemical kinetic mechanism generation for methanol combustion and systematic analysis on the ignition characteristics", Asia-Pacific Journal of Chemical Engineering, 15, 2020, , Source
  77. Joan Margineda, Niall J. English, "Dynamical and structural properties of adsorbed water molecules at the TiO2 rutile-(110) surface: interfacial hydrogen bonding probed by ab-initio molecular dynamics", Molecular Physics, 118, 2020, e1725166, Source
  78. Joan Margineda, Niall J. English, "Dynamical and structural properties of adsorbed water molecules at the TiO2 anatase-(1 0 1) surface: Importance of interfacial hydrogen-bond rearrangements", Chemical Physics Letters, 743, 2020, 137164, Source
  79. John M. Simmie, Judith Würmel, "An Organized Collection of Theoretical Gas-Phase Geometric, Spectroscopic, and Thermochemical Data of Oxygenated Hydrocarbons, CxHyOz (x, y = 1, 2; z = 1–8), of Relevance to Atmospheric, Astrochemical, and Combustion Sciences", Journal of Physical and Chemical Reference Data, 49, 2020, , Source
  80. John P. Graham, "The Bursten model of ligand additivity applied to orbital energetics of octahedral d6 phosphine complexes", Inorganica Chimica Acta, 502, 2020, 119349, Source
  81. Jonathan Mackey, Samuel Green, Maria Moutzouri, Thomas J. Haworth, Robert D. Kavanagh, Maggie Celeste, Robert Brose, Davit Zargaryan, Ciarán O’Rourke, "PION: Simulations of Wind-Blown Nebulae", Proceedings of the International Astronomical Union, 16, 2020, 262-267, Source
  82. Jonathan Opoku Oti, Amos T. Kabo-bah, Eric Ofosu, "Hydrologic response to climate change in the Densu River Basin in Ghana", Heliyon, 6, 2020, e04722, Source
  83. José A. Martínez-González, Prithwish K. Nandi, Niall J. English, Aoife A. Gowen, "Infrared spectra and density of states at the interface between water and protein: Insights from classical molecular dynamics", Chemical Physics Letters, 757, 2020, 137867, Source
  84. José D. Querales-Flores, Pablo Aguado-Puente, Đorđe Dangić, Jiang Cao, Piotr Chudzinski, Tchavdar N. Todorov, Myrta Grüning, Stephen Fahy, Ivana Savić, "Towards temperature-induced topological phase transition in SnTe: A first-principles study", Physical Review B, 101, 2020, , Source
  85. Joseph C. A. Prentice, Jolyon Aarons, James C. Womack, Alice E. A. Allen, Lampros Andrinopoulos, Lucian Anton, Robert A. Bell, Arihant Bhandari, Gabriel A. Bramley, Robert J. Charlton, Rebecca J. Clements, Daniel J. Cole, Gabriel Constantinescu, Fabiano Corsetti, Simon M.-M. Dubois, Kevin K. B. Duff, José María Escartín, Andrea Greco, Quintin Hill, Louis P. Lee, Edward Linscott, David D. O’Regan, Maximillian J. S. Phipps, Laura E. Ratcliff, Álvaro Ruiz Serrano, Edward W. Tait, Gilberto Teobaldi, Valerio Vitale, Nelson Yeung, Tim J. Zuehlsdorff, Jacek Dziedzic, Peter D. Haynes, Nicholas D. M. Hine, Arash A. Mostofi, Mike C. Payne, Chris-Kriton Skylaris, "The ONETEP linear-scaling density functional theory program", The Journal of Chemical Physics, 152, 2020, , Source
  86. Joseph D. O'Brien, Alberto Aleta, Yamir Moreno, James P. Gleeson, "Quantifying uncertainty in a predictive model for popularity dynamics", Physical Review E, 101, 2020, , Source
  87. Joseph O'Donnell, Sarah Guerin, Pandeeswar Makam, Pierre-Andre Cazade, Ehtsham Ul Haq, Kai Tao, Ehud Gazit, Christophe Silien, Tewfik Soulimane, Damien Thompson, Syed A.M. Tofail, "Atomistic-Benchmarking towards a protocol development for rapid quantitative metrology of piezoelectric biomolecular materials", Applied Materials Today, 21, 2020, 100818, Source
  88. Joseph O'Donnell, Shaheen M. Sarkar, Sarah Guerin, Gabriel Guardia Borda, Christophe Silien, Tewfik Soulimane, Damien Thompson, Emmet O'Reilly, Syed A. M. Tofail, "Piezoelectricity in the proteinogenic amino acid L-leucine: A novel piezoactive bioelectret", IEEE Transactions on Dielectrics and Electrical Insulation, 27, 2020, 1465-1468, Source
  89. Joseph W. Nugent, Max García-Melchor, Alison R. Fout, "Cobalt-Catalyzed Ammonia Borane Dehydrogenation: Mechanistic Insight and Isolation of a Cobalt Hydride-Amidoborane Complex", Organometallics, 39, 2020, 2917-2927, Source
  90. Judith Würmel, Kieran P. Somers, John M. Simmie, "Ethyl lactate: a sinister molecule exhibiting high chemical diversity with potential as a “green” solvent", International Journal of Chemical Kinetics, 53, 2020, 457-464, Source
  91. Julia Savioli, Graeme W. Watson, "Computational modelling of solid oxide fuel cells", Current Opinion in Electrochemistry, 21, 2020, 14-21, Source
  92. Julie De Foor, Christelle Senterre, Pol Leclercq, Dimitri Martins, Magali Pirson, "Profile of hospitalised elderly patients in Belgium—Analysis of factors affecting hospital costs", The Journal of the Economics of Ageing, 15, 2020, 100209, Source
  93. Kai Leong Chong, Rui Yang, Qi Wang, Roberto Verzicco, Detlef Lohse, "Café latte: spontaneous layer formation in laterally cooled double diffusive convection", Journal of Fluid Mechanics, 900, 2020, , Source
  94. Kai Tao, Joseph O’ Donnell, Hui Yuan, Ehtsham. U. Haq, Sarah Guerin, Linda J. W. Shimon, Bin Xue, Christophe Silien, Yi Cao, Damien Thompson, Rusen Yang, Syed A. M. Tofail, Ehud Gazit, "Accelerated charge transfer in water-layered peptide assemblies", Energy & Environmental Science, 13, 2020, 96-101, Source
  95. Kevin Byrne, Skye Conlan, Magdalena Bazalova-Carter, Mark Foley, "Optimizing Novel Inorganic Scintillation Detectors for Applications in Medical Physics", 2020 IEEE SENSORS, , 2020, , Source
  96. Kevin Calabro, Laurence K. Jennings, Perrine Lasserre, Roisin Doohan, Daniel Rodrigues, Fernando Reyes, Carmen Ramos, Olivier P. Thomas, "Nebulosins: Trisubstituted Thiolane Natural Products from the Northeastern Atlantic Annelid Eupolymnia nebulosa", The Journal of Organic Chemistry, 85, 2020, 14026-14041, Source
  97. Kevin T. O’Brien, Catherine Mooney, Cyril Lopez, Gianluca Pollastri, Denis C. Shields, "Prediction of polyproline II secondary structure propensity in proteins", Royal Society Open Science, 7, 2020, 191239, Source
  98. Kouamé Jean-Eric Kouassi, Olivier Cartiaux, Loic Fonkoué, Christine Detrembleur, Olivier Cornu, "Biomechanical study of a low-cost external fixator for diaphyseal fractures of long bones", Journal of Orthopaedic Surgery and Research, 15, 2020, , Source
  99. L.M. Flores Mateos, M. Hartnett, "Tidal-stream power assessment—A novel modelling approach", Energy Reports, 6, 2020, 108-113, Source
  100. Lara Hawchar, Owen Naughton, Paul Nolan, Mark G. Stewart, Paraic C. Ryan, "A GIS-based framework for high-level climate change risk assessment of critical infrastructure", Climate Risk Management, 29, 2020, 100235, Source
  101. Lara M. Cassidy, Ros Ó Maoldúin, Thomas Kador, Ann Lynch, Carleton Jones, Peter C. Woodman, Eileen Murphy, Greer Ramsey, Marion Dowd, Alice Noonan, Ciarán Campbell, Eppie R. Jones, Valeria Mattiangeli, Daniel G. Bradley, "A dynastic elite in monumental Neolithic society", Nature, 582, 2020, 384-388, Source
  102. Laxmi Muralidharan, Philip Cardiff, Karen Fitzgerald, Robert Flavin, Alojz Ivanković, "A patient-specific numerical model of the ankle joint for the analysis of contact pressure distribution", Proceedings of the Institution of Mechanical Engineers, Part H: Journal of Engineering in Medicine, 234, 2020, 909-920, Source
  103. Lee J O’Riordan, Myles Doyle, Fabio Baruffa, Venkatesh Kannan, "A hybrid classical-quantum workflow for natural language processing", Machine Learning: Science and Technology, 2, 2020, 015011, Source
  104. Lennon �N醨aigh, Daniel R. Jansen van Vuuren, "Linear and Nonlinear Stability Analysis in Microfluidic Systems", Fluid Dynamics & Materials Processing, 16, 2020, 383-410, Source
  105. Lorenzo Casalino, Zied Gaieb, Jory A. Goldsmith, Christy K. Hjorth, Abigail C. Dommer, Aoife M. Harbison, Carl A. Fogarty, Emilia P. Barros, Bryn C. Taylor, Jason S. McLellan, Elisa Fadda, Rommie E. Amaro, "Beyond Shielding: The Roles of Glycans in the SARS-CoV-2 Spike Protein", ACS Central Science, 6, 2020, 1722-1734, Source
  106. M Chernyakova, D Malyshev, P Blay, B van Soelen, S Tsygankov, "Multiwavelength observations of PSR J2032+4127 during the 2017 periastron passage", Monthly Notices of the Royal Astronomical Society, 495, 2020, 365-374, Source
  107. M Chernyakova, D Malyshev, S Mc Keague, B van Soelen, J P Marais, A Martin-Carrillo, D Murphy, "New insight into the origin of the GeV flare in the binary system PSR B1259-63/LS 2883 from the 2017 periastron passage", Monthly Notices of the Royal Astronomical Society, 497, 2020, 648-655, Source
  108. M. Cobelli, M. Galante, S. Gabardi, S. Sanvito, M. Bernasconi, "First-Principles Study of Electromigration in the Metallic Liquid State of GeTe and Sb2Te3 Phase-Change Compounds", The Journal of Physical Chemistry C, 124, 2020, 9599-9603, Source
  109. Maedeh Enayati, Omid Bozorg-Haddad, Javad Bazrafshan, Somayeh Hejabi, Xuefeng Chu, "Bias correction capabilities of quantile mapping methods for rainfall and temperature variables", Journal of Water and Climate Change, 12, 2020, 401-419, Source
  110. Mahdi Tavakol, Ted J. Vaughan, "The structural role of osteocalcin in bone biomechanics and its alteration in Type-2 Diabetes", Scientific Reports, 10, 2020, , Source
  111. Maria Miguel-Gordo, Sandra Gegunde, Laurence K. Jennings, Grégory Genta-Jouve, Kevin Calabro, Amparo Alfonso, Luis M. Botana, Olivier P. Thomas, "Futunamine, a Pyrrole–Imidazole Alkaloid from the Sponge Stylissa aff. carteri Collected off the Futuna Islands", Journal of Natural Products, 83, 2020, 2299-2304, Source
  112. Marlon Brenes, John Goold, Marcos Rigol, "Low-frequency behavior of off-diagonal matrix elements in the integrable XXZ chain and in a locally perturbed quantum-chaotic XXZ chain", Physical Review B, 102, 2020, , Source
  113. Marlon Brenes, Juan José Mendoza-Arenas, Archak Purkayastha, Mark T. Mitchison, Stephen R. Clark, John Goold, "Tensor-Network Method to Simulate Strongly Interacting Quantum Thermal Machines", Physical Review X, 10, 2020, , Source
  114. Marlon Brenes, Silvia Pappalardi, John Goold, Alessandro Silva, "Multipartite Entanglement Structure in the Eigenstate Thermalization Hypothesis", Physical Review Letters, 124, 2020, , Source
  115. Marlon Brenes, Tyler LeBlond, John Goold, Marcos Rigol, "Eigenstate Thermalization in a Locally Perturbed Integrable System", Physical Review Letters, 125, 2020, , Source
  116. Martí López, Francesc Viñes, Michael Nolan, Francesc Illas, "Predicting the Effect of Dopants on CO2 Adsorption in Transition Metal Carbides: Case Study on TiC (001)", The Journal of Physical Chemistry C, 124, 2020, 15969-15976, Source
  117. Maryrose McLoone, Nathan J. Quinlan, "Particle transport velocity correction for the finite volume particle method for multi-resolution particle distributions and exact geometric boundaries", Engineering Analysis with Boundary Elements, 114, 2020, 114-126, Source
  118. Matthew Gleeson, Kevin O'Dwyer, Sarah Guerin, Daragh Rice, Damien Thompson, Syed A. M. Tofail, Christophe Silien, Ning Liu, "Quantitative Polarization‐Resolved Second‐Harmonic‐Generation Microscopy of Glycine Microneedles", Advanced Materials, 32, 2020, , Source
  119. Matthias Vandichel, Kari Laasonen, Ivan Kondov, "Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism", Topics in Catalysis, 63, 2020, 833-845, Source
  120. Maxwell I. Zimmerman, Justin R. Porter, Michael D. Ward, Sukrit Singh, Neha Vithani, Artur Meller, Upasana L. Mallimadugula, Catherine E. Kuhn, Jonathan H. Borowsky, Rafal P. Wiewiora, Matthew F. D. Hurley, Aoife M Harbison, Carl A Fogarty, Joseph E. Coffland, Elisa Fadda, Vincent A. Voelz, John D. Chodera, Gregory R. Bowman, "SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome", [], , 2020, , Source
  121. Mehran Bahramyan, Reza Taherzadeh Mousavian, Dermot Brabazon, "Study of the plastic deformation mechanism of TRIP–TWIP high entropy alloys at the atomic level", International Journal of Plasticity, 127, 2020, 102649, Source
  122. Mehran Bahramyan, Reza Taherzadeh Mousavian, Dermot Brabazon, "Determination of atomic-scale structure and compressive behavior of solidified AlxCrCoFeCuNi high entropy alloys", International Journal of Mechanical Sciences, 171, 2020, 105389, Source
  123. Michael John Craig, Max García‐Melchor, "Discerning Activity and Inactivity in Earth‐Abundant Molecular Oxygen Evolution Catalysts", ChemCatChem, 12, 2020, 4775-4779, Source
  124. Mikael Fremling, Michal van Hooft, Cristiane Morais Smith, Lars Fritz, "Existence of robust edge currents in Sierpiński fractals", Physical Review Research, 2, 2020, , Source
  125. Mohamed G. Jushiddi, Rachel M. Cahalane, Michael Byrne, Aladin Mani, Christophe Silien, Syed A.M. Tofail, John J.E. Mulvihill, Peter Tiernan, "Bevel angle study of flexible hollow needle insertion into biological mimetic soft-gel: Simulation and experimental validation", Journal of the Mechanical Behavior of Biomedical Materials, 111, 2020, 103896, Source
  126. Mohammad Noor-A-Alam, Oskar Z. Olszewski, Humberto Campanella, Michael Nolan, "Large Piezoelectric Response and Ferroelectricity in Li and V/Nb/Ta Co-Doped w-AlN", ACS Applied Materials & Interfaces, 13, 2020, 944-954, Source
  127. N Conway, Ali Hainoun, "Regional Energy Demand Analysis Portal (REDAP) Digitalisation: enabling better government decision-making in the building & transport sectors", IOP Conference Series: Earth and Environmental Science, 588, 2020, 032008, Source
  128. Nagwa Elghryani, Joseph Crispell, Roohollah Ebrahimi, Michael Krivoruchko, Vladimir Lobaskin, Trish McOwan, William O'Connor, Eamonn Power, Bruno Voisin, Dimitri Scholz, Theo de Waal, "Preliminary evaluation of a novel, fully automated, Telenostic device for rapid field-diagnosis of cattle parasites", Parasitology, 147, 2020, 1249-1253, Source
  129. Nahlah Ahmed Al-Hadhrami, Angelique Ladwig, Adeyemi Rahman, Isabel Rozas, J. Paul G. Malthouse, Paul Evans, "Synthesis of 2-guanidinyl pyridines and their trypsin inhibition and docking", Bioorganic & Medicinal Chemistry, 28, 2020, 115612, Source
  130. Naomi Walsh, Charlotte Andrieu, Peter O’Donovan, Cecily Quinn, Alanna Maguire, Simon J. Furney, Giuseppe Gullo, John Crown, "Whole-exome sequencing of long-term, never relapse exceptional responders of trastuzumab-treated HER2+ metastatic breast cancer", British Journal of Cancer, 123, 2020, 1219-1222, Source
  131. Nastaran Nourmohammadi, Noel P. O’Dowd, Paul M. Weaver, "Effective bending modulus of thin ply fibre composites with uniform fibre spacing", International Journal of Solids and Structures, 196-197, 2020, 26-40, Source
  132. Niall Collins, Robert Connon, Goar Sánchez‐Sanz, Paul Evans, "Isomerisation of Vinyl Sulfones for the Stereoselective Synthesis of Vinyl Azides", European Journal of Organic Chemistry, 2020, 2020, 6228-6235, Source
  133. Niamh Roche, Steve Langton, Tina Aughney, Deirdre Lynn, Ferdia Marnell, "Elucidating the Consequences of a Warming Climate for Common Bat Species in North-Western Europe", Acta Chiropterologica, 21, 2020, 359, Source
  134. Nicole Beisiegel, Stefan Vater, Jörn Behrens, Frédéric Dias, "An adaptive discontinuous Galerkin method for the simulation of hurricane storm surge", Ocean Dynamics, 70, 2020, 641-666, Source
  135. Noel H. Reynolds, Eoin McEvoy, Juan Alberto Panadero Pérez, Ryan J. Coleman, J. Patrick McGarry, "Influence of multi-axial dynamic constraint on cell alignment and contractility in engineered tissues", Journal of the Mechanical Behavior of Biomedical Materials, 112, 2020, 104024, Source
  136. Noel Kennedy, Shane Garvey, Barbara Maccioni, Luke Eaton, Michael Nolan, Ray Duffy, Fintan Meaney, Mary Kennedy, Justin D. Holmes, Brenda Long, "Monolayer Doping of Germanium with Arsenic: A New Chemical Route to Achieve Optimal Dopant Activation", Langmuir, 36, 2020, 9993-10002, Source
  137. Obed M. Ogega, Benjamin A. Gyampoh, Malcolm N. Mistry, "Intraseasonal Precipitation Variability over West Africa under 1.5 °C and 2.0 °C Global Warming Scenarios: Results from CORDEX RCMs", Climate, 8, 2020, 143, Source
  138. Okan K. Orhan, David D. O'Regan, "First-principles Hubbard U and Hund's J corrected approximate density functional theory predicts an accurate fundamental gap in rutile and anatase TiO2", Physical Review B, 101, 2020, , Source
  139. Omar Coughlin, Tobias Krämer, Sophie L. Benjamin, "Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations", Dalton Transactions, 49, 2020, 1726-1730, Source
  140. Orna Fennelly, Caitriona Cunningham, Loretto Grogan, Heather Cronin, Conor O’Shea, Miriam Roche, Fiona Lawlor, Neil O’Hare, "Successfully implementing a national electronic health record: a rapid umbrella review", International Journal of Medical Informatics, 144, 2020, 104281, Source
  141. Oussama Yahiaoui, Harshal D. Patel, Kylie S. Chinner, Lukáš F. Pašteka, Thomas Fallon, "Stereomutation of Substituted Bullvalenes", Organic Letters, 23, 2020, 1157-1162, Source
  142. Patrick Kielty, Pau Farràs, Patrick McArdle, Dennis A. Smith, Fawaz Aldabbagh, "Correction: Visible-light unmasking of heterocyclic quinone methide radicals from alkoxyamines", Chemical Communications, 56, 2020, 11891-11891, Source
  143. Peter Niraj Nirmalraj, Jonathan List, Shayon Battacharya, Geoffrey Howe, Liang Xu, Damien Thompson, Michael Mayer, "Complete aggregation pathway of amyloid β (1-40) and (1-42) resolved on an atomically clean interface", Science Advances, 6, 2020, , Source
  144. Philippe Roman, "Buckley, Eve E. (2017) Technocrats and the Politics of Drought and Development in Twentieth‐Century Brazil, The University of North Carolina Press (Chapel Hill, NC), xv + 279 pp. $29.95 pbk.", Bulletin of Latin American Research, 39, 2020, 652-654, Source
  145. Philippe Roman, Coralie Muylaert, Coline Ruwet, Géraldine Thiry, Kevin Maréchal, "Toward a strongly sustainable functional economy: the importance of territorial embeddedness", Développement durable et territoires, , 2020, , Source
  146. Pralok K. Samanta, Niall J. English, "Triplet Harvesting Using Two-Photon Absorption in Substituted Naphthalimides for Their Application as Heavy-Atom-Free Photosensitizers", The Journal of Physical Chemistry C, 124, 2020, 8178-8185, Source
  147. Pramod Patil Kunturu, Özlem Kap, Kai Sotthewes, Pierre Cazade, Harold J. W. Zandvliet, Damien Thompson, Ofer Reany, Jurriaan Huskens, "Anchoring and packing of self-assembled monolayers of semithio-bambusurils on Au(111)", Molecular Systems Design & Engineering, 5, 2020, 511-520, Source
  148. Qilong Sun, Sohee Kwon, Maria Stamenova, Stefano Sanvito, Nicholas Kioussis, "Electric field modulation of magnetism in ferrimagnetic Heusler heterostructures", Physical Review B, 101, 2020, , Source
  149. Ransell D'Souza, Jiang Cao, José D. Querales-Flores, Stephen Fahy, Ivana Savić, "Electron-phonon scattering and thermoelectric transport in p -type PbTe from first principles", Physical Review B, 102, 2020, , Source
  150. Rebeca Gomez Betancourt, Ivo Maes, "Paul van Zeeland, a monetary economist between two worlds", The European Journal of the History of Economic Thought, 28, 2020, 31-45, Source
  151. Rita Mullins, Suresh Kondati Natarajan, Simon D. Elliott, Michael Nolan, "Self-Limiting Temperature Window for Thermal Atomic Layer Etching of HfO2 and ZrO2 Based on the Atomic-Scale Mechanism", Chemistry of Materials, 32, 2020, 3414-3426, Source
  152. Romuald Dupuy, Pierre Le Masne, Philippe Roman, "FROM THE ACCOUNTS OF PHILOSOPHIE RURALE TO THE PHYSIOCRATIC TABLEAU: FRANÇOIS QUESNAY AS A PRECURSOR OF NATIONAL ACCOUNTING", Journal of the History of Economic Thought, 42, 2020, 457-481, Source
  153. Ross P. Byrne, Wouter van Rheenen, Leonard H. van den Berg, Jan H. Veldink, Russell L. McLaughlin, "Dutch population structure across space, time and GWAS design", Nature Communications, 11, 2020, , Source
  154. S Carolan, A A Vidotto, C Villarreal D’Angelo, G Hazra, "Effects of the stellar wind on the Ly α transit of close-in planets", Monthly Notices of the Royal Astronomical Society, 500, 2020, 3382-3393, Source
  155. S Carolan, A A Vidotto, P Plavchan, C Villarreal D’Angelo, G Hazra, "The dichotomy of atmospheric escape in AU Mic b", Monthly Notices of the Royal Astronomical Society: Letters, 498, 2020, L53-L57, Source
  156. S. Rhatigan, E. Sokalu, M. Nolan, G. Colón, "Surface Modification of Rutile TiO2 with Alkaline-Earth Oxide Nanoclusters for Enhanced Oxygen Evolution", ACS Applied Nano Materials, 3, 2020, 6017-6033, Source
  157. Sabine Körbel, Stefano Sanvito, "Photovoltage from ferroelectric domain walls in BiFeO3", Physical Review B, 102, 2020, , Source
  158. Sajad Alimohammadi, Tim Persoons, "A Novel Linear Air Amplifier Technology to Replace Rotary Fans in Data Center Server Rack Cooling", 2020 26th International Workshop on Thermal Investigations of ICs and Systems (THERMINIC), , 2020, , Source
  159. Seán Hennessey, Pau Farràs, Jordi Benet-Buchholz, Antoni Llobet, "Correction: A Bpp-based dinuclear ruthenium photocatalyst for visible light-driven oxidation reactions", Catalysis Science & Technology, 10, 2020, 7068-7068, Source
  160. Shane Dooley, Graham Kells, "Enhancing the effect of quantum many-body scars on dynamics by minimizing the effective dimension", Physical Review B, 102, 2020, , Source
  161. Shayon Bhattacharya, Liang Xu, Damien Thompson, "Long-range Regulation of Partially Folded Amyloidogenic Peptides", Scientific Reports, 10, 2020, , Source
  162. Shubhadeep Bhattacharjee, Enrico Caruso, Niall McEvoy, Cormac Ó Coileáin, Katie O’Neill, Lida Ansari, Georg S. Duesberg, Roger Nagle, Karim Cherkaoui, Farzan Gity, Paul K. Hurley, "Insights into Multilevel Resistive Switching in Monolayer MoS2", ACS Applied Materials & Interfaces, 12, 2020, 6022-6029, Source
  163. Shubhangi Kandwal, Darren Fayne, "Repurposing drugs for treatment of SARS-CoV-2 infection: computational design insights into mechanisms of action", Journal of Biomolecular Structure and Dynamics, 40, 2020, 1316-1330, Source
  164. SI Okeke, N Harrison, M Tong, "Thermomechanical modelling for the linear friction welding process of Ni-based superalloy and verification", Proceedings of the Institution of Mechanical Engineers, Part L: Journal of Materials: Design and Applications, 234, 2020, 796-815, Source
  165. Silas O’Toole, Dominic Zerulla, "Propagating Surface Plasmon Polaritons on Systems with Variable Periodicity and Variable Gap-Depth", Materials, 13, 2020, 4753, Source
  166. Sinead Toomey, Jillian Gunther, Aoife Carr, David C. Weksberg, Valentina Thomas, Manuela Salvucci, Orna Bacon, El-Masry Sherif, Joanna Fay, Elaine W. Kay, Katherine M. Sheehan, Deborah A. McNamara, Keith L Sanders, Geena Mathew, Oscar S. Breathnach, Liam Grogan, Patrick G. Morris, Wai C. Foo, Yi-Qian N. You, Jochen H. Prehn, Brian O’Neill, Sunil Krishnan, Bryan T. Hennessy, Simon J. Furney, "Genomic and Transcriptomic Characterisation of Response to Neoadjuvant Chemoradiotherapy in Locally Advanced Rectal Cancer", Cancers, 12, 2020, 1808, Source
  167. Sreetosh Goswami, Damien Thompson, R. Stanley Williams, Sreebrata Goswami, T. Venkatesan, "Colossal current and voltage tunability in an organic memristor via electrode engineering", Applied Materials Today, 19, 2020, 100626, Source
  168. Sreetosh Goswami, Santi P. Rath, Damien Thompson, Svante Hedström, Meenakshi Annamalai, Rajib Pramanick, B. Robert Ilic, Soumya Sarkar, Sonu Hooda, Christian A. Nijhuis, Jens Martin, R. Stanley Williams, Sreebrata Goswami, T. Venkatesan, "Charge disproportionate molecular redox for discrete memristive and memcapacitive switching", Nature Nanotechnology, 15, 2020, 380-389, Source
  169. Subhayan Roychoudhury, Stefano Sanvito, David D. O’Regan, "Neutral excitation density-functional theory: an efficient and variational first-principles method for simulating neutral excitations in molecules", Scientific Reports, 10, 2020, , Source
  170. Sudharsan Srinivasan, Harry E.A. Van den Akker, Orest Shardt, "Shear thickening and history-dependent rheology of monodisperse suspensions with finite inertia via an immersed boundary lattice Boltzmann method", International Journal of Multiphase Flow, 125, 2020, 103205, Source
  171. Suman Samantray, David L. Cheung, "Effect of the air–water interface on the conformation of amyloid beta", Biointerphases, 15, 2020, , Source
  172. Suresh Kondati Natarajan, Cara-Lena Nies, Michael Nolan, "The role of Ru passivation and doping on the barrier and seed layer properties of Ru-modified TaN for copper interconnects", The Journal of Chemical Physics, 152, 2020, , Source
  173. Suresh Kondati Natarajan, Michael Nolan, Patrick Theofanis, Charles Mokhtarzadeh, Scott B. Clendenning, "Mechanism of Thermal Atomic Layer Etch of W Metal Using Sequential Oxidation and Chlorination: A First-Principles Study", ACS Applied Materials & Interfaces, 12, 2020, 36670-36680, Source
  174. Suzanne McMahon, Ashwene Rajagopal, Saeed Amirjalayer, Yvonne Halpin, Deirdre Fitzgerald-Hughes, Wybren Jan Buma, Sander Woutersen, Conor Long, Mary T. Pryce, "Photo-activated CO-release in the amino tungsten Fischer carbene complex, [(CO)5WC(NC4H8)Me], picosecond time resolved infrared spectroscopy, time-dependent density functional theory, and an antimicrobial study", Journal of Inorganic Biochemistry, 208, 2020, 111071, Source
  175. Swetanshu Tandon, Joaquín Soriano-López, Amal C. Kathalikkattil, Guanghua Jin, Paul Wix, Munuswamy Venkatesan, Ross Lundy, Michael A. Morris, Graeme W. Watson, Wolfgang Schmitt, "A cubane-type manganese complex with H2O oxidation capabilities", Sustainable Energy & Fuels, 4, 2020, 4464-4468, Source
  176. Syam Kumar R, Akinlolu Akande, Fedwa El-Mellouhi, Heesoo Park, Stefano Sanvito, "Theoretical investigation of the structural, elastic, electronic, and dielectric properties of alkali-metal-based bismuth ternary chalcogenides", Physical Review Materials, 4, 2020, , Source
  177. Tassadit Kourat, Dalila Smadhi, Brahim Mouhouche, Nerdjes Gourari, M. G. Mostofa Amin, Christopher Robin Bryant, "Assessment of future climate change impact on rainfed wheat yield in the semi-arid Eastern High Plain of Algeria using a crop model", Natural Hazards, 107, 2020, 2175-2203, Source
  178. Tatjana Kokina, Frederic Dias, "Influence of Computed Wave Spectra on Statistical Wave Properties", Journal of Marine Science and Engineering, 8, 2020, 1023, Source
  179. Thái Anh Nhan, Niall Madden, "An analysis of diagonal and incomplete Cholesky preconditioners for singularly perturbed problems on layer-adapted meshes", Journal of Applied Mathematics and Computing, 65, 2020, 245-272, Source
  180. Tijana Đukić, Nenad Filipovic, "Numerical modeling of cell separation in microfluidic chips", Computational Modeling in Bioengineering and Bioinformatics, , 2020, 321-352, Source
  181. Valentina Thomas, Maura B. Cotter, Miriam Tosetto, Yi Ling Khaw, Robert Geraghty, Desmond C. Winter, Elizabeth J. Ryan, Kieran Sheahan, Simon J. Furney, "Personalised mapping of tumour development in synchronous colorectal cancer patients", npj Genomic Medicine, 5, 2020, , Source
  182. Vasantha Basavalingappa, Santu Bera, Bin Xue, Joseph O’Donnell, Sarah Guerin, Pierre-Andre Cazade, Hui Yuan, Ehtsham ul Haq, Christophe Silien, Kai Tao, Linda J. W. Shimon, Syed A. M. Tofail, Damien Thompson, Sofiya Kolusheva, Rusen Yang, Yi Cao, Ehud Gazit, "Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity", ACS Nano, 14, 2020, 7025-7037, Source
  183. Vignesh Kumaravel, Stephen Rhatigan, Snehamol Mathew, Marie Clara Michel, John Bartlett, Michael Nolan, Steven J Hinder, Antonio Gascó, César Ruiz-Palomar, Daphne Hermosilla, Suresh C Pillai, "Mo doped TiO2: impact on oxygen vacancies, anatase phase stability and photocatalytic activity", Journal of Physics: Materials, 3, 2020, 025008, Source
  184. Wei Ji, Bin Xue, Santu Bera, Sarah Guerin, Yanqing Liu, Hui Yuan, Qi Li, Chengqian Yuan, Linda J. W. Shimon, Qing Ma, Evan Kiely, Syed A. M. Tofail, Mingsu Si, Xuehai Yan, Yi Cao, Wei Wang, Rusen Yang, Damien Thompson, Junbai Li, Ehud Gazit, "Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation", ACS Nano, 14, 2020, 10704-10715, Source
  185. Wenyou Zhang, Mingming Tong, Noel M. Harrison, "Scanning strategies effect on temperature, residual stress and deformation by multi-laser beam powder bed fusion manufacturing", Additive Manufacturing, 36, 2020, 101507, Source
  186. William Finnegan, Edward Fagan, Tomas Flanagan, Adrian Doyle, Jamie Goggins, "Operational fatigue loading on tidal turbine blades using computational fluid dynamics", Renewable Energy, 152, 2020, 430-440, Source
  187. Wolfgang Walther, Dhiyaa Althagafi, Danielle Curran, Cillian O’Beirne, Cian Mc Carthy, Ingo Ott, Uttara Basu, Britta Büttner, Anja Sterner-Kock, Helge Müller-Bunz, Goar Sánchez-Sanz, Xiangming Zhu, Matthias Tacke, "In-vitro and in-vivo investigations into the carbene-gold anticancer drug candidates NHC*-Au-SCSNMe2 and NHC*-Au-S-GLUC against advanced prostate cancer PC3", Anti-Cancer Drugs, 31, 2020, 672-683, Source
  188. Yanhui Zhang, Alessandro Lunghi, Stefano Sanvito, "Pushing the limits of atomistic simulations towards ultra-high temperature: A machine-learning force field for ZrB2", Acta Materialia, 186, 2020, 467-474, Source
  189. Yanjin Sun, Chong-Wen Zhou, Kieran P. Somers, Henry J. Curran, "An ab Initio/Transition State Theory Study of the Reactions of Ċ5H9 Species of Relevance to 1,3-Pentadiene, Part II: Pressure Dependent Rate Constants and Implications for Combustion Modeling", The Journal of Physical Chemistry A, 124, 2020, 4605-4631, Source
  190. Yanjin Sun, Kieran P. Somers, Quan-De Wang, Caoimhe Farrell, Henry J. Curran, "Hindered rotor benchmarks for the transition states of free radical additions to unsaturated hydrocarbons", Physical Chemistry Chemical Physics, 22, 2020, 27241-27254, Source
  191. Yaoyi Geng, Éanna McCarthy, Dermot Brabazon, Noel Harrison, "Ti6Al4V functionally graded material via high power and high speed laser surface modification", Surface and Coatings Technology, 398, 2020, 126085, Source
  192. Yingmei Han, Cameron Nickle, Ziyu Zhang, Hippolyte P. A. G. Astier, Thorin J. Duffin, Dongchen Qi, Zhe Wang, Enrique del Barco, Damien Thompson, Christian A. Nijhuis, "Electric-field-driven dual-functional molecular switches in tunnel junctions", Nature Materials, 19, 2020, 843-848, Source
  193. Yuhma Asano, Samuel Kováčik, Denjoe O’Connor, "The confining transition in the bosonic BMN matrix model", Journal of High Energy Physics, 2020, 2020, , Source

Supported By

Department FHERIS
University of Galway
HEA Logo