Publications 2020

2020 (118 articles)

Abhinav Saket, Rajarshi Tiwari, " Orbital Mott transition in two dimensional pyrochlore lattice,", Journal of Physics: Condensed Matter, 32, 2020 , 255601, 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
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
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
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
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
Ciaran OMalley, 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
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
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
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
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
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
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, , 2020 , , Source
Inigo Iribarren, Goar Sanchez-Sanz, Cristina Trujillo, " Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds,", Molecules, 25, 2020 , 798, Source
Jagdeep Grover, Cristina Trujillo, Mona Saad, Ganapathi Emandi, Nikolina Stipanicev, Stefan 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, , 2020 , , 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 textquotedblleftMagnesiconetextquotedblright, 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
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
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 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 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
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
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
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
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
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
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$2-Adrenergic affinity and antagonist activity,", European Journal of Medicinal Chemistry, , 2020 , 112947, Source
Mikael Fremling, Michal van Hooft, Cristiane Morais Smith, Lars Fritz, " Existence of robust edge currents in Sierpinski fractals,", Physical Review Research, 2, 2020 , , Source
Nagwa Elghryani, Joseph Crispell, Roohollah Ebrahimi, Michael Krivoruchko, Vladimir Lobaskin, Trish McOwan, William OtextquotesingleConnor, Eamonn Power, Bruno Voisin, Dimitri Scholz, Theo de Waal, " Preliminary evaluation of a novel, fully automated, Telenostic device for rapid field-diagnosis of cattle parasites,", Parasitology, , 2020 , 1--18, Source
Nahlah Ahmed Al-Hadhrami, Angelique Ladwig, AdeyemiRahman, Isabel Rozas, J.Paul G. Malthouse, Paul Evans, "Synthesis of 2-guanidinyl pyridines and their trypsin inhibition and docking", Bioorganic & Medicinal Chemistry, 28, 2020 , 115612, Source
Naomi Walsh, Charlotte Andrieu, Peter ODonovan, Cecily Quinn, Alanna Maguire, Simon J. Furney, Giuseppe Gullo, John Crown, " Whole-exome sequencing of long-term, never relapse exceptional responders of trastuzumab-treated HER2$mathplus$ metastatic breast cancer,", British Journal of Cancer, , 2020 , , Source
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
Omar Coughlin, Tobias Krämer, Sophie L. Benjamin, " Diverse structure and reactivity of pentamethylcyclopentadienyl antimony(iii) cations", Dalton Transactions, 49, 2020 , 1726--1730, 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
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
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
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
Sabine Körbel, Stefano Sanvito, " Photovoltage from ferroelectric domain walls in ", Physical Review B, 102, 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 Farr`as, 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
Shayon Bhattacharya, Liang Xu, Damien Thompson, " Long-range Regulation of Partially Folded Amyloidogenic Peptides,", Scientific Reports, 10, 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
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
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