Publications 2021

2021 (197 articles)

Abdul Jabbar Saeed Tipu, Padraig O Conbhui, Enda Howley, " Applying neural networks to predict HPC-I/O bandwidth over seismic data on lustre file system for ExSeisDat,", Cluster Computing, , 2021 , , Source
Abhijeet H. Thaker, Vivek V. Ranade, " Drop breakage in a single-pass through vortex-based cavitation device: Experiments and modeling,", AIChE Journal, , 2021 , , Source
Abhijeet H. Thaker, Vivek V. Ranade, " Towards harnessing hydrodynamic cavitation for producing emulsions: Breakage of an oil drop in a vortex based cavitation device,", Chemical Engineering and Processing - Process Intensification, , 2021 , 108753, Source
Adeyemi Rahman, Nikolina Stipanivcev, Aaron P. Keogh, Brendan Twamley, Isabel Rozas, " Selective carbamate conversion of protected guanidines,", Tetrahedron Letters, 74, 2021 , 153160, Source
Agata Fularz, James H. Rice, Pietro Ballone, " Morphology of Nanometric Overlayers Made of Porphyrin-Type Molecules Physisorbed on Cellulose I$upbeta$ Crystals and Nanocrystals", , book, 2021 , 11432--11443, Source
Ajay Pal, James F. Curtin, Gemma K. Kinsella, " In silico and in vitro screening for potential anticancer candidates targeting GPR120,", Bioorganic & Medicinal Chemistry Letters, 31, 2021 , 127672, Source
Ajay Pal, James F. Curtin, Gemma K. Kinsella, " Structure based prediction of a novel GPR120 antagonist based on pharmacophore screening and molecular dynamics simulations,", Computational and Structural Biotechnology Journal, 19, 2021 , 6050--6063, Source
Alexander J. Bukvic, Arron L. Burnage, Graham J. Tizzard, Antonio J. Martinez-Martinez, Alasdair I. McKay, Nicholas H. Rees, Bengt E. Tegner, Tobias Krämer, Heather Fish, Mark R. Warren, Simon J. Coles, Stuart A. Macgregor, Andrew S. Weller, " A Series of Crystallographically Characterized Linear and Branched $upsigma$-Alkane Complexes of Rhodium: From Propane to 3-Methylpentane,", Journal of the American Chemical Society, 143, 2021 , 5106--5120, Source
Alina Premrov, David Wilson, Matthew Saunders, Jagadeesh Yeluripati, Florence Renou-Wilson, " CO2 fluxes from drained and rewetted peatlands using a new ECOSSE model water table simulation approach,", Science of The Total Environment, 754, 2021 , 142433, Source
A L Mesquita, D Rodgers-Lee, A A Vidotto, D Atri, B E Wood, " Galactic cosmic ray propagation through M dwarf planetary systems,", Monthly Notices of the Royal Astronomical Society, 509, 2021 , 2091--2101, Source
A L Mesquita, D Rodgers-Lee, A A Vidotto, " The Earth-like Galactic cosmic ray intensity in the habitable zone of the M dwarf GJ~436,", Monthly Notices of the Royal Astronomical Society, 505, 2021 , 1817--1826, Source
Alonso Gamero-Quijano, Shayon Bhattacharya, Pierre-Andre Cazade, Andres F. Molina-Osorio, Cillian Beecher, Ahmed Djeghader, Tewfik Soulimane, Manuel Dossot, Damien Thompson, Gregoire Herzog, Micheal D. Scanlon, " Modulating the pro-apoptotic activity of cytochrome c at a biomimetic electrified interface,", Science Advances, 7, 2021 , , Source
Anne Sofie Busk Heitmann, Ali Asghar Hakami Zanjani, Martin Berg Klenow, Anna Mularski, Stine Lauritzen Sonder, Frederik Wendelboe Lund, Theresa Louise Boye, Catarina Dias, Poul Martin Bendix, Adam Cohen Simonsen, Himanshu Khandelia, Jesper Nylandsted, " Phenothiazines alter plasma membrane properties and~sensitize cancer cells to injury by inhibiting annexin-mediated repair,", Journal of Biological Chemistry, 297, 2021 , 101012, Source
Anne Tanskanen, Pia Sundberg, Michael Nolan, Maarit Karppinen, " Atomic/molecular layer deposition of Ti-organic thin films from different aromatic alcohol and amine precursors,", Thin Solid Films, 736, 2021 , 138896, Source
Annika M. Krieger, Vivek Sinha, Adarsh V. Kalikadien, Evgeny A. Pidko, " Metal-ligand cooperative activation of HX (X", Zeitschrift für anorganische und allgemeine Chemie, 647, 2021 , 1486--1494, Source
Aoibhin A. Cullen, Ashwene Rajagopal, Katharina Heintz, Andreas Heise, Robert Murphy, Igor V. Sazanovich, Gregory M. Greetham, Michael Towrie, Conor Long, Deirdre Fitzgerald-Hughes, Mary T. Pryce, " Exploiting a Neutral BODIPY Copolymer as an Effective Agent for Photodynamic Antimicrobial Inactivation,", The Journal of Physical Chemistry B, 125, 2021 , 1550--1557, Source
Aoibhin A. Cullen, Conor Long, Mary T. Pryce, " Explaining the role of water in the light-switch probe for DNA intercalation: Modelling water loss from [Ru(phen)2(dppz)]2+·2H2O using DFT and TD-DFT methods,", Journal of Photochemistry and Photobiology A: Chemistry, 410, 2021 , 113169, Source
Apostolos A Christou, Nikolaos Georgakarakos, " Long-term dynamical survival of deep Earth coorbitals,", Monthly Notices of the Royal Astronomical Society, , 2021 , , Source
Arantxa Davo-Qui~nonero, Sergio Lopez-Rodriguez, Cristian Chaparro-Garnica, Iris Martin-Garcia, Esther Bailon-Garcia, Dolores Lozano-Castello, Agustin Bueno-Lopez, Max Garcia-Melchor, " Investigations of the Effect of H2 in CO Oxidation over Ceria Catalysts,", Catalysts, 11, 2021 , 1556, Source
Arbresha Muriqi, Maarit Karppinen, Michael Nolan, " Role of terminal groups in aromatic molecules on the growth of Al2O3-based hybrid materials,", Dalton Transactions, 50, 2021 , 17583--17593, Source
Archak Purkayastha, Giacomo Guarnieri, Steve Campbell, Javier Prior, John Goold, " Periodically refreshed baths to simulate open quantum many-body dynamics,", Physical Review B, 104, 2021 , , Source
Arnaud Buchs, Iratxe Calvo-Mendieta, Olivier Petit, Philippe Roman, " Challenging the ecological economics of water: Social and political perspectives,", Ecological Economics, 190, 2021 , 107176, Source
Azizah M. Malebari, Shu Wang, Thomas F. Greene, Niamh M. OBoyle, Darren Fayne, Mohemmed Faraz Khan, Seema M. Nathwani, Brendan Twamley, Thomas McCabe, Daniela M. Zisterer, Mary J. Meegan, " Synthesis and Antiproliferative Evaluation of 3-Chloroazetidin-2-ones with Antimitotic Activity: Heterocyclic Bridged Analogues of Combretastatin A-4,", Pharmaceuticals, 14, 2021 , 1119, Source
Beatriz Martinez~Montesinos, Christopher J. Bean, Ivan Lokmer, " 2D Synthetic dataset of numerical simulations of long-period seismicity in a volcanic edifice and related sensitivity kernels,", Data in Brief, 34, 2021 , 106673, Source
Beatriz Martinez Montesinos, Christopher J. Bean, Ivan Lokmer, " Quantifying strong seismic propagation effects in the upper volcanic edifice using sensitivity kernels,", Earth and Planetary Science Letters, 554, 2021 , 116683, Source
Betty Y. T. Lee, Andrew D. Phillips, Muhammad Hanif, Kelvin K. H. Tong, Tilo Söhnel, Christian G. Hartinger, " Heptadentate, Octadentate, Or Even Nonadentate? Denticity in the Unexpected Formation of an All-Carbon Donor-Atom Ligand in RhIII(Cpast)(Anthracenyl-NHC) Complexes,", Inorganic Chemistry, 60, 2021 , 8734--8741, Source
Brahmananda Chakraborty, Prithwish Kumar Nandi, Ajit Kundu, Yoshiyuki Kawazoe, " Nitrogen doping in non-magnetic yttrium oxide: Induction of room temperature ferromagnetism from first principles simulations,", Journal of Magnetism and Magnetic Materials, 528, 2021 , 167840, Source
Brajesh Narayan, Colm Herbert, Brian J. Rodriguez, Bernard R. Brooks, Nicolae-Viorel Buchete, " Replica Exchange Molecular Dynamics of Diphenylalanine Amyloid Peptides in Electric Fields,", The Journal of Physical Chemistry B, 125, 2021 , 5233--5242, Source
Brendan Walsh, Fergal J. Boyle, " In-Flow dynamics of an area-difference-energy spring-particle red blood cell model on non-uniform grids,", Computer Methods in Biomechanics and Biomedical Engineering, , 2021 , 1--13, Source
Brian Hand, " Three-dimensional computational fluid dynamic analysis of a large-scale vertical axis wind turbine,", Wind Engineering, 46, 2021 , 572--597, Source
Bruno N. Falcone, Matthew N. Grayson, " Understanding the mechanism of the chiral phosphoric acid-catalyzed aza-Cope rearrangement,", Organic & Biomolecular Chemistry, 19, 2021 , 3656--3664, Source
Cara-Lena Nies, Michael Nolan, " Prediction of Co and Ru nanocluster morphology on 2D MoS2 from interaction energies,", Beilstein Journal of Nanotechnology, 12, 2021 , 704--724, Source
Carl A Fogarty, Elisa Fadda, " Oligomannose N-Glycans 3D Architecture and Its Response to the FcgRIIIa Structural Landscape,", The Journal of Physical Chemistry B, 125, 2021 , 2607--2616, Source
Cecilia Chiaracane, Francesca Pietracaprina, Archak Purkayastha, John Goold, " Quantum dynamics in the interacting Fibonacci chain,", Physical Review B, 103, 2021 , , Source
Chong Shen Ng, Kai Leong Chong, Rui Yang, Mogeng Li, Roberto Verzicco, Detlef Lohse, " Growth of respiratory droplets in cold and humid air,", Physical Review Fluids, 6, 2021 , , Source
Chris D. Jones, Jonathan E. Hickman, Steven T. Rumbold, Jeremy Walton, Robin D. Lamboll, Ragnhild B. Skeie, Stephanie Fiedler, Piers M. Forster, Joeri Rogelj, Manabu Abe, Michael Botzet, Katherine Calvin, Christophe Cassou, Jason N.S. Cole, Paolo Davini, Makoto Deushi, Martin Dix, John C. Fyfe, Nathan P. Gillett, Tatiana Ilyina, Michio Kawamiya, Maxwell Kelley, Slava Kharin, Tsuyoshi Koshiro, Hongmei Li, Chloe Mackallah, Wolfgang A. Müller, Pierre Nabat, Twan van Noije, Paul Nolan, Rumi Ohgaito, Dirk Olivie, Naga Oshima, Jose Parodi, Thomas J. Reerink, Lili Ren, Anastasia Romanou, Roland Seferian, Yongming Tang, Claudia Timmreck, Jerry Tjiputra, Etienne Tourigny, Kostas Tsigaridis, Hailong Wang, Mingxuan Wu, Klaus Wyser, Shuting Yang, Yang Yang, Tilo Ziehn, " The Climate Response to Emissions Reductions Due to COVID-19: Initial Results From CovidMIP,", Geophysical Research Letters, 48, 2021 , , Source
Christian König, James C. Greer, Stephen Fahy, " Effect of strain and many-body corrections on the band inversions and topology of bismuth,", Physical Review B, 104, 2021 , , Source
Christian König, James C. Greer, Stephen Fahy, " Electronic properties of bismuth nanostructures,", Physical Review B, 104, 2021 , 045432, Source
Christian Windt, Nicolas Faedo, Markel Penalba, Frederic Dias, John V. Ringwood, " Reactive control of wave energy devices textendash the modelling paradox,", Applied Ocean Research, 109, 2021 , 102574, Source
Christoffer Dam Florentsen, Alexander Kamp-Sonne, Guillermo Moreno-Pescador, Weria Pezeshkian, Ali Asghar Hakami Zanjani, Himanshu Khandelia, Jesper Nylandsted, Poul Martin Bendix, " Annexin A4 trimers are recruited by high membrane curvatures in giant plasma membrane vesicles,", Soft Matter, 17, 2021 , 308--318, Source
Ciara G. McKenna, Ted J. Vaughan, " A Computational Framework Examining the Mechanical Behaviour of Bare and Polymer-Covered Self-Expanding Laser-Cut Stents,", Cardiovascular Engineering and Technology, , 2021 , , Source
Ciara G. McKenna, Ted J. Vaughan, " A finite element investigation on design parameters of bare and polymer-covered self-expanding wire braided stents,", Journal of the Mechanical Behavior of Biomedical Materials, 115, 2021 , 104305, 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, 2021 , 23--27, Source
Coline Ruwet, " `Bringing time back in. Towards a socio-ecological stratification of time,", Environmental Sociology, 7, 2021 , 294--304, Source
Connor J. Shine, Peter E. McHugh, William Ronan, " Impact of Degradation and Material Crystallinity on the Mechanical Performance of a Bioresorbable Polymeric Stent,", Journal of Elasticity, , 2021 , , Source
Constantin D. Sahm, Eric Mates-Torres, Nora Eliasson, Kamil Sokolowski, Andreas Wagner, Kristian E. Dalle, Zehuan Huang, Oren A. Scherman, Leif Hammarström, Max Garcia-Melchor, Erwin Reisner, " Imidazolium-modification enhances photocatalytic CO2 reduction on ZnSe quantum dots,", Chemical Science, 12, 2021 , 9078--9087, Source
Cristina Trujillo, Sarah A. Cronin, Stephen J. Connon, " Mechanistic Insights into the Organocatalytic Kinetic Resolution of Oxazinones through Alcoholysis,", European Journal of Organic Chemistry, 2022, 2021 , , Source
C. Windt, J. Davidson , J. V. Ringwood, " Investigation of Turbulence Modeling for Point-Absorber-Type Wave Energy Converters", Energies, 14, 2021 , 26, Source
Daniela Dias Queiroz, Thales de Paula Ribeiro, Julliana M. Gonccalves, Larissa M. M. Mattos, Ellen Gerhardt, Julia Freitas, Fernando L. Palhano, Susana Frases, Anderson S. Pinheiro, Malachy McCann, Andrew Knox, Michael Devereux, Tiago F. Outeiro, Marcos D. Pereira, " A Water-Soluble Manganese(II) Octanediaoate/Phenanthroline Complex Acts as an Antioxidant and Attenuates Alpha-Synuclein Toxicity", , book, 2021 , , Source
Daniel Giles, Devaraj Gopinathan, Serge Guillas, Frederic Dias, " Faster Than Real Time Tsunami Warning with Associated Hazard Uncertainties,", Frontiers in Earth Science, 8, 2021 , , Source
Daniel Kehoe, Eric Mates-Torres, Pavel Samokhvalov, Max Garcia-Melchor, Yurii K. Gunko, " Chiroptically Active 1D Ultrathin AuAg Nanostructures,", The Journal of Physical Chemistry C, 126, 2021 , 434--443, Source
Daria Kubyshkina, Aline A Vidotto, Carolina Villarreal~DAngelo, Stephen Carolan, Gopal Hazra, Ilaria Carleo, " Atmospheric mass-loss and stellar wind effects in young and old systems -I. Comparative 3D study of TOI-942 and TOI-421 systems,", Monthly Notices of the Royal Astronomical Society, 510, 2021 , 2111--2126, Source
David Brayford, Momme Allalen, Luigi Iapichino, John Brennan, Niall Moran, Lee J. ORiordan, Kenneth Hanley, " Deploying Containerized QuanEX Quantum Simulation Software on HPC Systems,", 2021 3rd International Workshop on Containers and New Orchestration Paradigms for Isolated Environments in HPC (CANOPIE-HPC), conference, 2021 , , Source
David Zanders, Ji Liu, Jorit Obenlüneschloss, Claudia Bock, Detlef Rogalla, Lukas Mai, Michael Nolan, Sean T. Barry, Anjana Devi, " Cobalt Metal ALD: Understanding the Mechanism and Role of Zinc Alkyl Precursors as Reductants for Low-Resistivity Co Thin Films,", Chemistry of Materials, 33, 2021 , 5045--5057, Source
Dielson da S. Vieira, Richard C. Polveiro, Thomas J. Butler, Timothy A. Hackett, Camila P. Braga, Bhanwar Lal Puniya, Weslen F.P. Teixeira, Pedro de M. Padilha, Jiri Adamec, Francisco L.F. Feitosa, " An in silico, structural, and biological analysis of lactoferrin of different mammals,", International Journal of Biological Macromolecules, 187, 2021 , 119--126, Source
Djordje Dangic, Olle Hellman, Stephen Fahy, Ivana Savic, " The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe,", npj Computational Materials, 7, 2021 , , Source
D Rodgers-Lee, A A Vidotto, A L Mesquita, " Charting nearby stellar systems: the intensity of Galactic cosmic rays for a sample of solar-type stars,", Monthly Notices of the Royal Astronomical Society, 508, 2021 , 4696--4704, Source
D Rodgers-Lee, A M Taylor, A A Vidotto, T P Downes, " Stellar versus Galactic: The intensity of cosmic rays at the evolving Earth and young exoplanets around Sun-like stars,", Monthly Notices of the Royal Astronomical Society, , 2021 , , Source
Eadaoin Doddy Clarke, Conor Sweeney, Frank McDermott, Seanie Griffin, Jo~ao Monteiro Correia, Paul Nolan, Laura Cooke, " Climate change impacts on wind energy generation in Ireland,", Wind Energy, 25, 2021 , 300--312, Source
Eanna Fennell, Jacques M. Huyghe, " A three-dimensional mechano-electrochemical material model of mechanosensing hydrogels,", Materials & Design, 198, 2021 , 109340, Source
E Bosoni, S Sanvito, " Complex band structure with non-orthogonal basis set: analytical properties and implementation in the SIESTA code,", Journal of Physics: Condensed Matter, 34, 2021 , 105501, Source
E. Coronado-Barrientos, M. Antonioletti, A. Garcia-Loureiro, " A new AXT format for an efficient SpMV product using AVX-512 instructions and CUDA,", Advances in Engineering Software, 156, 2021 , 102997, Source
Edel M Hyland, Andrew E Webb, Kathy F Kennedy, Z Nevin Gerek Ince, Christine E Loscher, Mary J OConnell, " Adaptive Evolution in TRIF Leads to Discordance between Human and Mouse Innate Immune Signaling,", Genome Biology and Evolution, 13, 2021 , , Source
Edward D. Meade, Fengwei Sun, Peter Tiernan, Noel P. OtextquotesingleDowd, " A multiscale experimentally-based finite element model to predict microstructure and damage evolution in martensitic steels,", International Journal of Plasticity, 139, 2021 , 102966, Source
Eoin McEvoy, William Wijns, Patrick McGarry, " A thermodynamic transient cross-bridge model for prediction of contractility and remodelling of the ventricle,", Journal of the Mechanical Behavior of Biomedical Materials, 113, 2021 , 104074, Source
Fahad Alshehri ,Mohamed Sultan, Sita Karki, Essam Alwagdani, Saleh Alsefry, Hassan Alharbi, Hossein Sahour, Neil Sturchio , "Mapping the Distribution of Shallow Groundwater Occurrences Using Remote Sensing-Based Statistical Modeling over Southwest Saudi Arabia", Remote Sensing, 12, 2021 , 1361, Source
Farzan Gity, Fintan Meaney, Anya Curran, Paul K. Hurley, Stephen Fahy, Ray Duffy, and Lida Ansari, " Doping of ultra-thin Si films: Combined first-principles calculations and experimental study", J. Applied Physics, 129, 2021 , 015701, Source
Fergal Stapleton, Edgar Galvan, " Semantic Neighborhood Ordering in Multi-objective Genetic Programming based on Decomposition,", 2021 IEEE Congress on Evolutionary Computation (CEC), confernce, 2021 , , Source
Ferid Salehli, Abuzer O. Aydin, Drahomir Chovan, Svitlana Kopyl, Vladimir Bystrov, Damien Thompson, Syed A.M. Tofail, Andrei Kholkin, " Nanoconfined water governs polarization-related properties of self-assembled peptide nanotubes,", Nano Select, 2, 2021 , 817--829, Source
Fionnuala Solomon, Stephen R. Power, " Valley current generation using biased bilayer graphene dots,", Physical Review B, 103, 2021 , , Source
F. Le Pape, A.G. Jones, M.W. Jessell, C. Hogg, L. Siebenaller, S. Perrouty, A. Toure, P. Ouiya, G. Boren, " The nature of the southern West African craton lithosphere inferred from its electrical resistivity,", Precambrian Research, 358, 2021 , 106190, Source
Florian Le Pape, Christopher J. Bean, " North Atlantic Oscillation (NAO) Climate Index Hidden in Ocean Generated Secondary Microseisms,", Geophysical Research Letters, 48, 2021 , , Source
Florian Le Pape, David Craig, Christopher J. Bean, " How deep ocean-land coupling controls the generation of secondary microseism Love waves,", Nature Communications, 12, 2021 , , Source
F. Platero, A. Lopez-Martin, A. Caballero, T. C. Rojas, M. Nolan, G. Colon, " Overcoming PdtextendashTiO2 Deactivation during H2 Production from Photoreforming Using Cu@Pd Nanoparticles Supported on TiO2,", ACS Applied Nano Materials, 4, 2021 , 3204--3219, Source
Frederico A. Baptista, Dorottya Krizsan, Mark Stitch, Igor V. Sazanovich, Ian P. Clark, Michael Towrie, Conor Long, Lara Martinez-Fernandez, Roberto Improta, Noel A. P. Kane-Maguire, John M. Kelly, Susan J. Quinn, " Adenine Radical Cation Formation by a Ligand-Centered Excited State of an Intercalated Chromium Polypyridyl Complex Leads to Enhanced DNA Photo-oxidation,", Journal of the American Chemical Society, 143, 2021 , 14766--14779, Source
Gillian Foster, Ruba Saleh, " The Adaptive Reuse of Cultural Heritage in European Circular City Plans: A Systematic Review,", Sustainability, 13, 2021 , 2889, Source
Gillian Foster, Ruba Saleh, " The Circular City and Adaptive Reuse of Cultural Heritage Index: Measuring the investment opportunity in Europe,", Resources, 175, 2021 , 105880, Source
Giovanni La Penna, Davide Tiana, Paolo Giannozzi, " Measuring Shared Electrons in Extended Molecular Systems: Covalent Bonds from Plane-Wave Representation of Wave Function,", Molecules, 26, 2021 , 4044, Source
Gloria Ana, Patrick M. Kelly, Azizah M. Malebari, Sara Noorani, Seema M. Nathwani, Brendan Twamley, Darren Fayne, Niamh M. OBoyle, Daniela M. Zisterer, Elisangela Flavia Pimentel, Denise Coutinho Endringer, Mary J. Meegan, " Synthesis and Biological Evaluation of 1-(Diarylmethyl)-1H-1,2,4-triazoles and 1-(Diarylmethyl)-1H-imidazoles as a Novel Class of Anti-Mitotic Agent for Activity in Breast Cancer,", Pharmaceuticals, 14, 2021 , 169, Source
Gopal Hazra, Aline A Vidotto, Stephen Carolan, Carolina Villarreal~DAngelo, Ward Manchester, " The impact of coronal mass ejections and flares on the atmosphere of the hot Jupiter HD189733b,", Monthly Notices of the Royal Astronomical Society, 509, 2021 , 5858--5871, Source
Goran Nakerst, Masudul Haque, " Eigenstate thermalization scaling in approaching the classical limit,", Physical Review E, 103, 2021 , , Source
Hamda bint E Ajmal, Michael G. Madden, " Dynamic Bayesian Network Learning to Infer Sparse Models from Time Series Gene Expression Data,", , book, 2021 , 1--1, Source
Harold Berjamin, Michel Destrade, " A hyperbolic framework for shear sound beams in nonlinear solids,", Communications in Nonlinear Science and Numerical Simulation, 103, 2021 , 106036, Source
Harshal D. Patel, Sebastian Gaggl, Lukavs F. Pavsteka, Thomas Fallon, " Ambimodal Pericyclic Rearrangements of Dialkenyl-Bullvalenes Give Tetrahydro-1,8-ethenoheptalenes,", Organic Letters, 24, 2021 , 319--323, Source
Heesoo Park, Syam Kumar R, Akinlolu Akande, Stefano Sanvito, Fedwa El-Mellouhi, " The rise of Nb-, Ta-, and Bi-based oxides/chalcogenides for photocatalytic applications,", International Journal of Hydrogen Energy, , 2021 , , Source
Hugo A. L. Filipe, Maëva C. F. Almeida, Rafaela R. Teixeira, Margarida I. M. Esteves, Cesar A. Henriques, Filipe E. Antunes, " Dancing with oils textendash the interaction of lipases with different oil/water interfaces,", Soft Matter, 17, 2021 , 7086--7098, Source
Inigo Iribarren, Goar Sanchez-Sanz, Ibon Alkorta, Jose Elguero, Cristina Trujillo, " Evaluation of Electron Density Shifts in Noncovalent Interactions,", The Journal of Physical Chemistry A, 125, 2021 , 4741--4749, Source
I~nigo Iribarren, Goar Sanchez-Sanz, Jose Elguero, Ibon Alkorta, Cristina Trujillo, " Reactivity of Coinage Metal Hydrides for the Production of H", ChemistryOpen, 10, 2021 , 724--730, Source
Ioan-Sorin Comsa, Gabriel-Miro Muntean, Ramona Trestian, " An Innovative Machine-Learning-Based Scheduling Solution for Improving Live UHD Video Streaming Quality in Highly Dynamic Network Environments,", IEEE Transactions on Broadcasting, 67, 2021 , 212--224, Source
James Nelson, Rajarshi Tiwari, Stefano Sanvito, " Machine-learning semilocal density functional theory for many-body lattice models at zero and finite temperature,", Physical Review B, 103, 2021 , , Source
Jennifer Power, Kieran P. Somers, Shashank S. Nagaraja, Henry J. Curran, " Hierarchical Study of the Reactions of Hydrogen Atoms with Alkenes: A Theoretical Study of the Reactions of Hydrogen Atoms with C2textendashC4 Alkenes,", The Journal of Physical Chemistry A, 125, 2021 , 5124--5145, Source
Jiang Cao, DJordje Dangic, Jose D. Querales-Flores, Stephen Fahy, Ivana Savic, " Electron-phonon coupling and electronic thermoelectric properties of ", Physical Review B, 104, 2021 , , Source
Ji Liu, Hongliang Lu, David Wei Zhang, Michael Nolan, " Reactions of ruthenium cyclopentadienyl precursor in the metal precursor pulse of Ru atomic layer deposition,", Journal of Materials Chemistry C, 9, 2021 , 2919--2932, Source
John M. Simmie, " Unknown Knowns: Case Studies in Uncertainties in the Computation of Thermochemical Parameters,", Chemical Physics, , 2021 , 111251, Source
Jonathan Mackey, Samuel Green, Maria Moutzouri, Thomas J Haworth, Robert D Kavanagh, Davit Zargaryan, Maggie Celeste, " pion: simulating bow shocks and circumstellar nebulae,", Monthly Notices of the Royal Astronomical Society, 504, 2021 , 983--1008, Source
Joseph D. OBrien, James P. Gleeson, " Memory-cognizant generalization to Simontextquotesingles random-copying neutral model,", Physical Review Research, 3, 2021 , , Source
Joseph D. OBrien, Kleber A. Oliveira, James P. Gleeson, Malbor Asllani, " Hierarchical route to the emergence of leader nodes in real-world networks,", Physical Review Research, 3, 2021 , , Source
Joseph ODonnell, Ehtsham Ul Haq, Christophe Silien, Tewfik Soulimane, Damien Thompson, Syed A. M. Tofail, " A practical approach for standardization of converse piezoelectric constants obtained from piezoresponse force microscopy,", Journal of Applied Physics, 129, 2021 , 185104, Source
Joseph ODonnell, Pierre-Andre Cazade, Sarah Guerin, Ahmed Djeghader, Ehtsham Ul Haq, Kai Tao, Ehud Gazit, Eiichi Fukada, Christophe Silien, Tewfik Soulimane, Damien Thompson, Syed A. M. Tofail, " Piezoelectricity of the Transmembrane Protein", Advanced Functional Materials, 31, 2021 , 2100884, Source
J. Rajbanshi, S. Bhattacharya, " Modelling the impact of climate change on soil erosion and sediment yield: a case study in a sub-tropical catchment, India,", Modeling Earth Systems and Environment, 8, 2021 , 689--711, Source
Judith Würmel, Kieran P. Somers, John M. Simmie, " Ethyl lactate: a sinister molecule exhibiting high chemical diversity with potential as a textquotedblleftgreentextquotedblright solvent,", International Journal of Chemical Kinetics, 53, 2021 , 457--464, Source
Kai Leong Chong, Chong Shen Ng, Naoki Hori, Rui Yang, Roberto Verzicco, Detlef Lohse, " Extended Lifetime of Respiratory Droplets in a Turbulent Vapor Puff and Its Implications on Airborne Disease Transmission,", Physical Review Letters, 126, 2021 , , Source
Kevin Brennan, Graeme W. Watson, Max Garcia-Melchor, " A computational study of the electrochemical cyanide reduction for ambient ammonia production on a nickel cathode,", Catalysis Science & Technology, 11, 2021 , 5633--5640, Source
Kishan Thodkar, Pierre-Andre Cazade, Frank Bergmann, Eloisa Lopez-Calle, Damien Thompson, Dieter Heindl, " Self-Assembled Pyrene Stacks and Peptide Monolayers Tune the Electronic Properties of Functionalized Electrolyte-Gated Graphene Field-Effect Transistors,", ACS Applied Materials & Interfaces, 13, 2021 , 9134--9142, Source
Kuanysh Zhussupbekov, Lida Ansari, John B. McManus, Ainur Zhussupbekova, Igor V. Shvets, Georg S. Duesberg, Paul K. Hurley, Farzan Gity, Cormac O Coileain, Niall McEvoy, " Imaging and identification of point defects in PtTe2,", npj 2D Materials and Applications, 5, 2021 , 14, Source
Lazaros Varvarezos, John T. Costello, Conor Long, Alexander J. Achner, Rene Wagner, Michael Meyer, Patrik Grychtol, " Ionization textendash dissociation of methane in ultrashort 400~nm and 800~nm laser fields,", Chemical Physics Letters, 775, 2021 , 138687, Source
Leandro Fernandez, Clement Calvino, Frederic Dias, " Sensitivity analysis of wind input parametrizations in the WAVEWATCH III spectral wave model using the ST6 source term package for Ireland,", Applied Ocean Research, 115, 2021 , 102826, Source
Lee James ORiordan, Myles Doyle, Fabio Baruffa, Venkatesh Kannan, " A hybrid classical-quantum workflow for natural language processing,", Machine Learning: Science and Technology, 2, 2021 , 015011, Source
Leticia Bianca Pereira, Victor Marques de Oliveira Gambarini, Alexandre Barretto de Menezes, Laura M.M. Ottoboni, Renato Vicentini, " Responses of the sugarcane rhizosphere microbiota to different levels of water stress,", Applied Soil Ecology, 159, 2021 , 103817, Source
Lewis C. H. Maddock, Manting Mu, Alan R. Kennedy, Max Garcia-Melchor, Eva Hevia, " Facilitating the Ferration of Aromatic Substrates through Intramolecular Sodium Mediation,", Angewandte Chemie International Edition, 60, 2021 , 15296--15301, Source
Manuela Salvucci, Nyree Crawford, Katie Stott, Susan Bullman, Daniel B Longley, Jochen H M Prehn, " Patients with mesenchymal tumours and high $less$i$greater$Fusobacteriales$less$/i$greater$ prevalence have worse prognosis in colorectal cancer (CRC),", Gut, , 2021 , gutjnl--2021--325193, Source
Mara Di Filippo, Cristina Trujillo, Goar Sanchez-Sanz, Andrei S. Batsanov, Marcus Baumann, " Discovery of a photochemical cascade process by flow-based interception of isomerising alkenes,", Chemical Science, 12, 2021 , 9895-9901, Source
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