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
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 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
Matthew Gleeson, Kevin OtextquotesingleDwyer, 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 , 2002873, Source
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
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", , bioRxiv, 2020 , , Source
M Chernyakova, D Malyshev, P Blay, B van Soelen, S Tsygankov, " Multi-wavelength observations of PSR~J2032+4127 during the 2017 periastron passage,", Monthly Notices of the Royal Astronomical Society, 495, 2020 , 365--374, Source
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, , 2020 , , Source
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
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
Mehran Bahramyan, Reza Taherzadeh Mousavian, Dermot Brabazon, " Study of the plastic deformation mechanism of TRIPtextendashTWIP high entropy alloys at the atomic level,", International Journal of Plasticity, 127, 2020 , 102649, Source
Michael Craig, Max Garcia-Melchor, " Discerning Activity and Inactivity in Earth-Abundant Molecular Water Oxidation Catalysts,", ChemCatChem, , 2020 , , Source
Michela McMullan, Brendan Kelly, Helene B. Mihigo, Aaron P. Keogh, Fernando Rodriguez, Iria Brocos-Mosquera, Aintzane Garcia-Bea, Patricia Miranda-Azpiazu, Luis F. Callado, Isabel Rozas, " Di-aryl guanidinium derivatives: Towards improved $upalpha$2-Adrenergic affinity and antagonist activity,", European Journal of Medicinal Chemistry, , 2020 , 112947, Source
Mikael Fremling, Michal van Hooft, Cristiane Morais Smith, Lars Fritz, " Existence of robust edge currents in Sierpinski fractals,", Physical Review Research, 2, 2020 , , Source
Mohamed G. Jushiddi, Rachel M. Cahalane, Michael Byrne, Aladin Mani, Christophe Silien, Syed A.M. Tofail, John J.E. Mulvihill, Peter Tiernan, " Bevel angle study of flexible hollow needle insertion into biological mimetic soft-gel: Simulation and experimental validation,", Journal of the Mechanical Behavior of Biomedical Materials, 111, 2020 , 103896, Source
Mohammad Noor-A-Alam, Oskar Z. Olszewski, Humberto Campanella, Michael Nolan, " Large Piezoelectric Response and Ferroelectricity in Li and V/Nb/Ta Co-Doped w-AlN,", ACS Applied Materials & Interfaces, 13, 2020 , 944--954, Source
Nagwa Elghryani, Joseph Crispell, Roohollah Ebrahimi, Michael Krivoruchko, Vladimir Lobaskin, Trish McOwan, William OtextquotesingleConnor, Eamonn Power, Bruno Voisin, Dimitri Scholz, Theo de Waal, " Preliminary evaluation of a novel, fully automated, Telenostic device for rapid field-diagnosis of cattle parasites,", Parasitology, , 2020 , 1--18, Source
Nahlah Ahmed Al-Hadhrami, Angelique Ladwig, AdeyemiRahman, Isabel Rozas, J.Paul G. Malthouse, Paul Evans, "Synthesis of 2-guanidinyl pyridines and their trypsin inhibition and docking", Bioorganic & Medicinal Chemistry, 28, 2020 , 115612, Source
Naomi Walsh, Charlotte Andrieu, Peter ODonovan, Cecily Quinn, Alanna Maguire, Simon J. Furney, Giuseppe Gullo, John Crown, " Whole-exome sequencing of long-term, never relapse exceptional responders of trastuzumab-treated HER2$mathplus$ metastatic breast cancer,", British Journal of Cancer, , 2020 , , Source
Nastaran Nourmohammadi, Noel P. ODowd, 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
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
Niall Collins, Robert Connon, Goar Sanchez-Sanz, Paul Evans, " Isomerisation of vinyl sulfones for the stereoselective synthesis of vinyl azides,", European Journal of Organic Chemistry, 39, 2020 , 6228-6235, Source
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
Nicole Beisiegel, Stefan Vater, Jörn Behrens, Frederic Dias, " An adaptive discontinuous Galerkin method for the simulation of hurricane storm surge,", Ocean Dynamics, 70, 2020 , 641--666, Source
Noel H. Reynolds, Eoin McEvoy, Juan Alberto Panadero Perez, 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
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
Obed M. Ogega, Benjamin A. Gyampoh, Malcolm N. Mistry, " Intraseasonal Precipitation Variability over West Africa under 1.5 textdegreeC and 2.0 textdegreeC Global Warming Scenarios: Results from CORDEX RCMs,", Climate, 8, 2020 , 143, Source
Okan K. Orhan, David D. OtextquotesingleRegan, " First-principles Hubbard ", Physical Review B, 101, 2020 , , Source
Omar Coughlin, Tobias Krämer, Sophie L. Benjamin, " Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations,", Dalton Transactions, 49, 2020 , 1726--1730, Source
Orna Fennelly, Caitriona Cunningham, Loretto Grogan, Heather Cronin, Conor OShea, Miriam Roche, Fiona Lawlor, Neil OHare, " Successfully implementing a national electronic health record: a rapid umbrella review,", International Journal of Medical Informatics, 144, 2020 , 104281, Source
Oussama Yahiaoui, Harshal D. Patel, Kylie S. Chinner, Lukavs F. Pavsteka, Thomas Fallon, " Stereomutation of Substituted Bullvalenes,", Organic Letters, 23, 2020 , 1157--1162, Source
Patrick Kielty, Pau Farras, Patrick McArdle, Dennis A. Smith, Fawaz Aldabbagh, " Correction: Visible-light unmasking of heterocyclic quinone methide radicals from alkoxyamines,", Chemical Communications, , 2020 , , Source
Peter Niraj Nirmalraj, Jonathan List, Shayon Battacharya, Geoffrey Howe, Liang Xu, Damien Thompson, Michael Mayer, " Complete aggregation pathway of amyloid b (1-40) and (1-42) resolved on an atomically clean interface,", Science Advances, 6, 2020 , eaaz6014, Source
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 $mathplus$ 279 pp. textdollar29.95 pbk.,", Bulletin of Latin American Research, 39, 2020 , 652--654, Source
Philippe Roman, Coralie Muylaert, Coline Ruwet, Geraldine Thiry, Kevin Marechal, " Integrer la territorialite pour une economie de la fonctionnalite plus soutenable,", Developpement durable et territoires, , 2020 , , Source
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
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
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
Ransell DSouza, Jiang Cao, Jose D. Querales-Flores, Stephen Fahy, Ivana Savic, " Electron-phonon scattering and thermoelectric transport in ", Physical Review B, 102, 2020 , , Source
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
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
Romuald Dupuy, Pierre Le Masne, Philippe Roman, " FROM THE ACCOUNTS OF $less$i$greater$PHILOSOPHIE RURALE$less$/i$greater$ TO THE PHYSIOCRATIC $less$i$greater$TABLEAU$less$/i$greater$: FRANcCOIS QUESNAY AS A PRECURSOR OF NATIONAL ACCOUNTING,", Journal of the History of Economic Thought, 42, 2020 , 457--481, Source
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
Sabine Körbel, Stefano Sanvito, " Photovoltage from ferroelectric domain walls in ", Physical Review B, 102, 2020 , , Source
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), book, 2020 , , Source
S Carolan, A A Vidotto, C Villarreal~DAngelo, G Hazra, " Effects of the stellar wind on the Lyhspace0.167em$upalpha$ transit of close-in planets,", Monthly Notices of the Royal Astronomical Society, 500, 2020 , 3382--3393, Source
S Carolan, A A Vidotto, P Plavchan, C Villarreal~DAngelo, G Hazra, " The dichotomy of atmospheric escape in AU Mic b,", Monthly Notices of the Royal Astronomical Society: Letters, 498, 2020 , L53--L57, Source
Sean Hennessey, Pau Farras, 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
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
Shubhadeep Bhattacharjee, Enrico Caruso, Niall McEvoy, Cormac O Coileain, Katie ONeill, 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
Silas OToole, Dominic Zerulla, " Propagating Surface Plasmon Polaritons on Systems with Variable Periodicity and Variable Gap-Depth,", Materials, 13, 2020 , 4753, Source
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 ONeill, 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
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, 234, 2020 , 796--815, Source
Soroosh Jalilvand, Kenneth Gavin, Vinayagamoothy Sivakumar, Robert B. Gilbert, Aaron Bradshaw, " New insights into the failure mechanisms of horizontal plate anchors in clay during pull-out,", Geotechnique, , 2020 , 1--11, Source
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
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
S. Rhatigan, E. Sokalu, M. Nolan, G. Colon, " Surface Modification of Rutile TiO2 with Alkaline-Earth Oxide Nanoclusters for Enhanced Oxygen Evolution,", ACS Applied Nano Materials, 3, 2020 , 6017--6033, Source
Subhayan Roychoudhury, Stefano Sanvito, David D. ORegan, " Neutral excitation density-functional theory: an efficient and variational first-principles method for simulating neutral excitations in molecules,", Scientific Reports, 10, 2020 , , Source
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
Suman Samantray, David L. Cheung, "Effect of the air–water interface on the conformation of amyloid beta", Biointerphases, 15, 2020 , 061011 , Source
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 , 144701, Source
Suresh Kondati Natarajan, Michael Nolan, Patrick Theofanis, Charles Mokhtarzadeh, and Scott B. Clendenning, "Mechanism of Thermal Atomic Layer Etch of W Metal Using Sequential Oxidation and Chlorination: A First-Principles Study", ACS Appl. Mater. Interfaces, 12, 2020 , 36670–36680, Source
Suzanne McMahon, Ashwene Rajagopal, Saeed Amirjalayer, Yvonne Halpin, Deirdre Fitzgerald-Hughes, Wybren Jan Buma, Sander Woutersen, Conor Long, Mary T. Pryce , " J. Inorganic Biochemistry", 208, 111071, 2020 , 10.1016/j.jinorgbio.2020.111071, Source
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
Swetanshu Tandon, Joaquin Soriano-Lopez, 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
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
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
Tatjana Kokina, Frederic Dias, " Influence of Computed Wave Spectra on Statistical Wave Properties,", Journal of Marine Science and Engineering, 8, 2020 , 1023, Source
Thai 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, , 2020 , , Source
Tijana DJukic, Nenad Filipovic, " Numerical modeling of cell separation in microfluidic chips,", Computational Modeling in Bioengineering and Bioinformatics, x, 2020 , 321--352, Source
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
Vasantha Basavalingappa, Santu Bera, Bin Xue, Joseph ODonnell, 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
Vignesh Kumaravel, Stephen Rhatigan, Snehamol Mathew, Marie Clara Michel, John Bartlett, Michael Nolan, Steven J Hinder, Antonio Gasco, Cesar 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
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
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
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
Wolfgang Walther, Dhiyaa Althagafi, Danielle Curran, Cillian OBeirne, Cian Mc Carthy, Ingo Ott, Uttara Basu, Britta Büttner, Anja Sterner-Kock, Helge Müller-Bunz, Goar Sanchez-Sanz, Xiangming Zhu, Matthias Tacke, " In-vitro and in-vivo investigations into the carbene-gold anticancer drug candidates NHCast-Au-SCSNMe2 and NHCast-Au-S-GLUC against advanced prostate cancer PC3,", Anti-Cancer Drugs, 31, 2020 , 672, Source
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
Yanjin Sun, Chong-Wen Zhou, Kieran P. Somers, Henry J. Curran, " An ab Initio/Transition State Theory Study of the Reactions of .C5H9 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
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
Yaoyi Geng, Eanna 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
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
Yuhma Asano, Samuel Kovavcik, Denjoe OConnor, " The confining transition in the bosonic BMN matrix model,", Journal of High Energy Physics, 2020, 2020 , , Source
