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
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  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
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