Publications 2020

2020 (187 articles)

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
Abhinav Saket, Rajarshi Tiwari, " Orbital Mott transition in two dimensional pyrochlore lattice,", Journal of Physics: Condensed Matter, 32, 2020 , 255601, Source
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
Alessandro Lunghi, Stefano Sanvito, " Multiple spin-phonon relaxation pathways in a Kramer single-ion magnet,", The Journal of Chemical Physics, 153, 2020 , 174113, Source
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
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,, 41, 2020 , 3899-3906:, Source
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
Andres F. Molina-Osorio, David Cheung, Colm ODwyer, Andrew A. Stewart, Manuel Dossot, Gregoire Herzog, Micheal 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
Aneta Mathijsen, Franccois Pierre Mathijsen, " Diasporic medical tourism: a scoping review of quantitative and qualitative evidence,", Globalization and Health, 16, 2020 , , Source
Angel Morales-Garcia, Stephen Rhatigan, Michael Nolan, Francesc Illas, " On the use of DFT$mathplus$U to describe the electronic structure of TiO2 nanoparticles: (TiO2)35 as a case study,", The Journal of Chemical Physics, 152, 2020 , 244107, Source
Antonia Trotta, J. Michio Clark, Adrian McGoldrick, Michael D Gilchrist, Aisling Ni 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
Apostolos A. Christou, Galin Borisov, Aldo DellOro, Seth A. Jacobson, Alberto Cellino, Eduardo Unda-Sanzana, " Population control of Mars Trojans by the Yarkovsky & YORP effects", Icarus, 335, 2020 , 113370, Source
Arantxa Davo-Quinonero, Esther Bailon-Garcia, Sergio Lopez-Rodriguez, Jeronimo Juan-Juan, Dolores Lozano-Castello, Max Garcia-Melchor, Facundo C. Herrera, Eric Pellegrin, Carlos Escudero, Agustin Bueno-Lopez, " 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
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
Arnaud Buchs, Olivier Petit, Philippe Roman, " Can social ecological economics of water reinforce the textquotedblleftbig tenttextquotedblright?,", Ecological Economics, 169, 2020 , 106553, Source
Ayoub Lasri, Viktorija Juric, Maite 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
Ayuk M. Ako, Amal Cherian Kathalikkattil, Rory Elliott, Joaquin Soriano-Lopez, Ian M. McKeogh, Muhammad Zubair, Nianyong Zhu, Max Garcia-Melchor, Paul E. Kruger, Wolfgang Schmitt, " Synthetic Approaches to Metallo-Supramolecular Co$less$sup$greater$II$less$/sup$greater$ Polygons and Potential Use for H$less$sub$greater$2$less$/sub$greater$O Oxidation,", Inorganic Chemistry, 59, 2020 , 14432--14438, Source
Azizah M. Malebari, Darren Fayne, Seema M. Nathwani, Fiona OConnell, Sara Noorani, Brendan Twamley, Niamh M. OBoyle, Jacintha OSullivan, Daniela M. Zisterer, Mary J. Meegan, " $upbeta$-Lactams with antiproliferative and antiapoptotic activity in breast and chemoresistant colon cancer cells,", European Journal of Medicinal Chemistry, 189, 2020 , 112050, Source
Bhausaheb Dhokale, Arturo Susarrey-Arce, Anna Pekkari, August Runemark, Kasper Moth-Poulsen, Christoph Langhammer, Hanna Härelind, Michael Busch, Matthias Vandichel, Henrik Sunden, " Microwave-heated $upgamma$-Alumina Applied to the Reduction of Aldehydes to Alcohols,", ChemCatChem, 12, 2020 , 6344--6355, Source
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
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, book, 2020 , 215--237, Source
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
Cara-Lena Nies, Michael Nolan, " DFT calculations of the structure and stability of copper clusters on MoS$less$sub$greater$2$less$/sub$greater$,", Beilstein Journal of Nanotechnology, 11, 2020 , 391--406, Source
Carl A Fogarty, Aoife M Harbison, Amy R Dugdale, Elisa Fadda, " How and why plants and human N-glycans are different: Insight from molecular dynamics into the "glycoblocks" architecture of complex carbohydrates,", Beilstein Journal of Organic Chemistry, 16, 2020 , 2046--2056, Source
Carolina Villarreal~DAngelo, Aline A Vidotto, Alejandro Esquivel, Gopal Hazra, Allison Youngblood, " GJ 436b and the stellar wind interaction: simulations constraints using Lyhspace0.167em$upalpha$ and Hhspace0.167em$upalpha$ transits,", Monthly Notices of the Royal Astronomical Society, 501, 2020 , 4383--4395, Source
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
Cecilia Chiaracane, Mark T. Mitchison, Archak Purkayastha, Geraldine Haack, John Goold, " Quasiperiodic quantum heat engines with a mobility edge,", Physical Review Research, 2, 2020 , , Source
C. P. Folsom, D. O Fionnagain, 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
Cristina Trujillo, Goar Sanchez-Sanz, Jose 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
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 , 030502, Source
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 Dominguez, Rowan Fealy, Jesus Fernandez, Miguel Angel Gaertner, Markel Garcia-Diez, Filippo Giorgi, Andreas Gobiet, Klaus Goergen, Juan Jose Gomez-Navarro, Juan Jesus Gonzalez Aleman, Claudia Gutierrez, Jose M. Gutierrez, Ivan Güttler, Andreas Haensler, Tomavs Halenka, Sonia Jerez, Pedro Jimenez-Guerrero, Richard G. Jones, Klaus Keuler, Erik Kjellström, Sebastian Knist, Sven Kotlarski, Douglas Maraun, Erik van Meijgaard, Paola Mercogliano, Juan Pedro Montavez, Antonio Navarra, Grigory Nikulin, Nathalie de Noblet-Ducoudre, Hans-Juergen Panitz, Susanne Pfeifer, Marie Piazza, Emanuela Pichelli, Joni-Pekka Pietikäinen, Andreas F. Prein, Swantje Preuschmann, Diana Rechid, Burkhardt Rockel, Raquel Romera, Enrique Sanchez, Kevin Sieck, Pedro M. M. Soares, Samuel Somot, Lidija Srnec, Silje Lund Sorland, 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
Daniel Giles, Brian McConnell, Frederic Dias, " Modelling with Volna-OP2textemdashTowards Tsunami Threat Reduction for the Irish Coastline,", Geosciences, 10, 2020 , 226, Source
Daniel Giles, Eugene Kashdan, Dimitra M. Salmanidou, Serge Guillas, Frederic Dias, " Performance analysis of Volna-OP2 textendash massively parallel code for tsunami modelling,", Computers & Fluids, 209, 2020 , 104649, Source
Dan Wu, Donal F. OShea, " Potential for release of pulmonary toxic ketene from vaping pyrolysis of vitamin E acetate,", Proceedings of the National Academy of Sciences, , 2020 , 201920925, Source
David L. Cheung, " Effect of surface chemistry on islet amyloid polypeptide conformation,", Biointerphases, 15, 2020 , 051001, Source
DJordje Dangic, Eamonn D. Murray, Stephen Fahy, Ivana Savic, " Structural and thermal transport properties of ferroelectric domain walls in GeTe from first principles,", Physical Review B, 101, 2020 , , Source
Djordje Dangic, Stephen Fahy, Ivana Savic, " Giant thermoelectric power factor in charged ferroelectric domain walls of GeTe with Van Hove singularities,", npj Computational Materials, 6, 2020 , , Source
D.L. Cheung, " Effect of surface structure on peptide adsorption on soft surfaces,", Chemical Physics Letters, 758, 2020 , 137929, Source
D O~Fionnagain, A A Vidotto, P Petit, C Neiner, W Manchester~IV, C P Folsom, G Hallinan, " $uplambda$~And: a post-main-sequence wind from a solar-mass star,", Monthly Notices of the Royal Astronomical Society, 500, 2020 , 3438--3453, Source
Dominic Cheuk, Jacek Zeglinski, Renuka Krishnaraj, AAke C. Rasmuson, " Influence of solvent on crystal nucleation of benzocaine,", CrystEngComm, 22, 2020 , 8330--8342, Source
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
Eanna Fennell, Juliane Kamphus, Jacques M. Huyghe, " The Importance of the Mixing Energy in Ionized Superabsorbent Polymer Swelling Models,", Polymers, 12, 2020 , 609, Source
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
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
E.M. OHara, 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
Eoin OConnor, Rebecca A. Owens, Sean Doyle, Anicca Amini, Helen Grogan, David A. Fitzpatrick, " Proteomic investigation of interhyphal interactions between strains of Agaricus bisporus,", Fungal Biology, 124, 2020 , 579--591, Source
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, , 2020 , , Source
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, , 2020 , 095765092092736, Source
Gary McGuire, Oisin Robinson, " Lattice Sieving in Three Dimensions for Discrete Log in Medium Characteristic,", Journal of Mathematical Cryptology, 15, 2020 , 223--236, Source
Gerard Pareras, Davide Tiana, Albert Poater, " MOF Encapsulation of Ru Olefin Metathesis Catalysts to Block Catalyst Decomposition,", Catalysts, 10, 2020 , 687, Source
Goar Sanchez-Sanz, Cristina Trujillo, Ibon Alkorta, Jose Elguero, " Rivalry between regium and hydrogen bonds established within diatomic coinage molecules and Lewis acids/bases,", ChemPhysChem, , 2020 , , Source
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
Helie Moreau, Loïc de Jamblinne de Meux, Vanessa Zeller, Pierre DAns, 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
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
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
Ian S. Reynolds, Valentina Thomas, Emer OConnell, 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
Ibon Alkorta, Cristina Trujillo, Goar Sanchez-Sanz, Jose 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
Ibon Alkorta, Jose Elguero, Cristina Trujillo, Goar Sanchez-Sanz, " Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study,", International Journal of Molecular Sciences, 21, 2020 , 8036, Source
Inigo Iribarren, Cristina Trujillo, " Improving phase-transfer catalysis by enhancing non-covalent interactions,", Physical Chemistry Chemical Physics, 22, 2020 , 21015--21021, Source
Inigo Iribarren, Goar Sanchez-Sanz, Cristina Trujillo, " Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds,", Molecules, 25, 2020 , 798, Source
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
Jagdeep Grover, Cristina Trujillo, Mona Saad, Ganapathi Emandi, Nikolina Stipanivcev, Stefan S. R. Bernhard, Aurore Guedin, 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
Jamie McGowan, David A. Fitzpatrick, " Recent advances in oomycete genomics,", Advances in Genetics, book, 2020 , 175--228, Source
Jazib Hassan, Ronan M. OtextquotesingleHiggins, 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
J. Cao, J.D. Querales-Flores, S. Fahy, I. Savic, " Thermally induced band gap increase and high thermoelectric figure of merit of n-type PbTe,", Materials Today Physics, 12, 2020 , 100172, Source
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
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
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
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
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
J Mackey, S Green, M Moutzouri, " Simulations of Magnetised Stellar-Wind Bubbles,", Journal of Physics: Conference Series, 1620, 2020 , 012012, Source
J. M. Simmie, K. P. Somers, " Snakes on the Rungs of Jacobs Ladder: Anomalous Vibrational Spectra from Double-Hybrid DFT Methods,", The Journal of Physical Chemistry A, 124, 2020 , 6899--6902, Source
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
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
John M. Simmie, Judith Würmel, " An Organized Collection of Theoretical Gas-Phase Geometric, Spectroscopic, and Thermochemical Data of Oxygenated Hydrocarbons, CxHyOz (x, y, z), of Relevance to Atmospheric, Astrochemical, and Combustion Sciences ", Journal of Physical and Chemical Reference Data, 49, 2020 , 023102, Source
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
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
Jose A. Martinez-Gonzalez, 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
Jose D. Querales-Flores, Pablo Aguado-Puente, DJordje Dangic, Jiang Cao, Piotr Chudzinski, Tchavdar N. Todorov, Myrta Grüning, Stephen Fahy, Ivana Savic, " Towards temperature-induced topological phase transition in SnTe: A first-principles study,", Physical Review B, 101, 2020 , i235206, Source
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, Jose Maria Escartin, Andrea Greco, Quintin Hill, Louis P. Lee, Edward Linscott, David D. ORegan, Maximillian J. S. Phipps, Laura E. Ratcliff, Alvaro 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 $less$scp$greater$ONETEP$less$/scp$greater$ linear-scaling density functional theory program,", The Journal of Chemical Physics, 152, 2020 , 174111, Source
Joseph D. OBrien, Alberto Aleta, Yamir Moreno, James P. Gleeson, " Quantifying uncertainty in a predictive model for popularity dynamics,", Physical Review E, 101, 2020 , , Source
Joseph ODonnell, 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
Joseph ODonnell, Shaheen M. Sarkar, Sarah Guerin, Gabriel Guardia Borda, Christophe Silien, Tewfik Soulimane, Damien Thompson, Emmet OReilly, 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
Joseph W. Nugent, Max Garcia-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
Julia Savioli, Graeme W. Watson, " Computational modelling of solid oxide fuel cells,", Current Opinion in Electrochemistry, 21, 2020 , 14--21, Source
Julie De Foor, Christelle Senterre, Pol Leclercq, Dimitri Martins, Magali Pirson, " Profile of hospitalised elderly patients in BelgiumtextemdashAnalysis of factors affecting hospital costs,", The Journal of the Economics of Ageing, 15, 2020 , 100209, Source
Kai Leong Chong, Rui Yang, Qi Wang, Roberto Verzicco, Detlef Lohse, " Cafe latte: spontaneous layer formation in laterally cooled double diffusive convection,", Journal of Fluid Mechanics, 900, 2020 , , Source
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
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
Kevin T. OBrien, 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
Kouame Jean-Eric Kouassi, Olivier Cartiaux, Loic Fonkoue, 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
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
Lara M. Cassidy, Ros O Maolduin, Thomas Kador, Ann Lynch, Carleton Jones, Peter C. Woodman, Eileen Murphy, Greer Ramsey, Marion Dowd, Alice Noonan, Ciaran Campbell, Eppie R. Jones, Valeria Mattiangeli, Daniel G. Bradley, " A dynastic elite in monumental Neolithic society,", Nature, 582, 2020 , 384--388, Source
Laxmi Muralidharan, Philip Cardiff, Karen Fitzgerald, Robert Flavin, Alojz Ivankovic, " A patient-specific numerical model of the ankle joint for the analysis of contact pressure distribution,", Proceedings of the Institution of Mechanical Engineers, 234, 2020 , 909--920, Source
Lennon O Naraigh, Daniel R. Jansen van Vuuren, " Linear and Nonlinear Stability Analysis in Microfluidic Systems,", Fluid Dynamics & Materials Processing, 16, 2020 , 383--410, Source
L.M. Flores Mateos, M. Hartnett, " Tidal-stream power assessment- A novel modelling approach,", Energy Reports, 6, 2020 , 108--113, Source
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
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
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
Maria Miguel-Gordo, Sandra Gegunde, Laurence K. Jennings, Gregory Genta-Jouve, Kevin Calabro, Amparo Alfonso, Luis M. Botana, Olivier P. Thomas, " Futunamine, a Pyrrolet-Imidazole Alkaloid from the Sponge Stylissa aff. carteri Collected off the Futuna Islands,", Journal of Natural Products, , 2020 , , Source
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
Marlon Brenes, Juan Jose 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
Marlon Brenes, Silvia Pappalardi, John Goold, Alessandro Silva, " Multipartite Entanglement Structure in the Eigenstate Thermalization Hypothesis,", Physical Review Letters, 124, 2020 , , Source
Marlon Brenes, Tyler LeBlond, John Goold, Marcos Rigol, " Eigenstate Thermalization in a Locally Perturbed Integrable System,", Physical Review Letters, 125, 2020 , , Source
Marti Lopez, Francesc Vines, Michael Nolan, Francesc Illas, " Predicting the Effect of Dopants on CO2 Adsorption on Transition Metal Carbides: Case Study on TiC (001),", The Journal of Physical Chemistry C, , 2020 , , Source
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
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