Publications 2022

2022 (95 articles)

Adarsh V. Kalikadien, Evgeny A. Pidko, Vivek Sinha, " ChemSpaX: exploration of chemical space by automated functionalization of molecular scaffold,", Digital Discovery, , 2022 , , Source
Ahmed Ahmed, Constantinos G. Efthymiou, Rana Sanii, Ewa Patyk-Kazmierczak, Amir M. Alsharabasy, Meghan Winterlich, Naveen Kumar, Debobroto Sensharma, Wenming Tong, Sarah Guerin, Pau Farras, Sarah Hudson, Damien Thompson, Michael J. Zaworotko, Anastasios J. Tasiopoulos, Constantina Papatriantafyllopoulou, " NUIG4: A biocompatible pcu metaltextendashorganic framework with an exceptional doxorubicin encapsulation capacity,", Journal of Materials Chemistry B, 10, 2022 , 1378--1385, Source
Alessandro Lunghi, " Toward exact predictions of spin-phonon relaxation times: An ab initio implementation of open quantum systems theory,", Science Advances, 8, 2022 , , Source
Alexsander S Wilkinson, " Illustration and Ornamentation in the Iberian Book World, 1450-1800", , book, 2022 , , Source
Ali Margot Huerta-Flores, Francisco Ruiz-Zepeda, Cavit Eyovge, Jedrzej P. Winczewski, Matthias Vandichel, Miran Gabervsvcek, Nicolas D. Boscher, Han J.G.E. Gardeniers, Leticia M. Torres-Martinez, Arturo Susarrey-Arce, " Enhanced Photocatalytic Hydrogen Evolution from Water Splitting on Ta2O5/SrZrO3 Heterostructures Decorated with uxO/RuO2 Cocatalysts,", ACS Applied Materials &$mathsemicolon$ Interfaces, 14, 2022 , 31767--31781, Source
A L Mesquita, D Rodgers-Lee, A A Vidotto, R D Kavanagh, " The strong suppression of galactic cosmic rays reaching AUMic, and ProxCen,", Monthly Notices of the Royal Astronomical Society, 515, 2022 , 1218--1227, Source
Anirudh Venugopal, Laurentius H. T. Egberts, Jittima Meeprasert, Evgeny A. Pidko, Bernard Dam, Thomas Burdyny, Vivek Sinha, Wilson A. Smith, " Polymer Modification of Surface Electronic Properties of Electrocatalysts,", ACS Energy Letters, 7, 2022 , 1586--1593, Source
Annabel Rae, Keelan M. Byrne, Scott A. Brown, Alan R. Kennedy, Tobias Krämer, Robert E. Mulvey, Stuart D. Robertson, " Sigma/pi Bonding Preferences of Solvated Alkali-Metal Cations to Ditopic Arylmethyl Anions,", Chemistry - A European Journal, 28, 2022 , , Source
Annika M. Krieger, Vivek Sinha, Guanna Li, Evgeny A. Pidko, " Solvent-Assisted Ketone Reduction by a Homogeneous Mn Catalyst,", Organometallics, 41, 2022 , 1829--1835, Source
Austin M. Cano, Suresh Kondati Natarajan, Jonathan L. Partridge, Simon D. Elliott, Steven M. George, " Spontaneous etching of B2O3 by HF gas studied using infrared spectroscopy, mass spectrometry, and density functional theory,", Journal of Vacuum Science &$mathsemicolon$ Technology A, 40, 2022 , 022601, Source
B Kerkeni, I Garcia-Bernete, D Rigopoulou, D P Tew, P F Roche, D C Clary, " Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons,", Monthly Notices of the Royal Astronomical Society, 513, 2022 , 3663--3681, Source
Bobby Huxford, William Ronan, Benjamin P Russell, " Fibre bridging: Continuum modelling of extrinsic toughening in double cantilever beam tests,", Journal of Composite Materials, 56, 2022 , 3307--3321, Source
Bruno Ariano, Valeria Mattiangeli, Emily M. Breslin, Eoin W. Parkinson, T. Rowan McLaughlin, Jess E. Thompson, Ronika K. Power, Jay T. Stock, Bernardette Mercieca-Spiteri, Simon Stoddart, Caroline Malone, Shyam Gopalakrishnan, Lara M. Cassidy, Daniel G. Bradley, " Ancient Maltese genomes and the genetic geography of Neolithic Europe,", Current Biology, 32, 2022 , 2668--2680.e6, Source
B van~Soelen, S Mc~Keague, D Malyshev, M Chernyakova, N Komin, N Matchett, I M Monageng, " Improved binary solution for the gamma-ray binary 1FGL J1018.6-5856,", Monthly Notices of the Royal Astronomical Society, 515, 2022 , 1078--1085, Source
Cara-Lena Nies, Suresh Kondati Natarajan, Michael Nolan, " Control of the Cu morphology on Ru-passivated and Ru-doped TaN surfaces textendash promoting growth of 2D conducting copper for CMOS interconnects,", Chemical Science, 13, 2022 , 713--725, Source
Cara-Lena Nies, Suresh Kondati Natarajan, Michael Nolan, " Control of the Cu morphology on Ru-passivated and Ru-doped TaN surfaces textendash promoting growth of 2D conducting copper for CMOS interconnects,", Chemical Science, 13, 2022 , 713--725, Source
Caroline Crowley, Brian Murphy, Conan McCaul, Ronan Cahill, Kevin Patrick Nolan, " Airborne particle dispersion by high flow nasal oxygen: An experimental and CFD analysis,", PLOS ONE, 17, 2022 , e0262547, Source
Cecilia Chiaracane, Archak Purkayastha, Mark T. Mitchison, John Goold, " Dephasing-enhanced performance in quasiperiodic thermal machines,", Physical Review B, 105, 2022 , , Source
Constantin D. Sahm, Anna Ciotti, Eric Mates-Torres, Vivek Badiani, Kamil Sokolowski, Gaia Neri, Alexander J. Cowan, Max Garcia-Melchor, Erwin Reisner, " Tuning the local chemical environment of ZnSe quantum dots with dithiols towards photocatalytic CO$less$sub$greater$2$less$/sub$greater$ reduction,", Chemical Science, 13, 2022 , 5988--5998, Source
Daire OCarroll, Niall English, " A DFTB-Based Molecular Dynamics Investigation of an Explicitly Solvated Anatase Nanoparticle,", Applied Sciences, 12, 2022 , 780, Source
Daniel C. Najera, Marconi N. Pe~nas-Defrutos, Max Garcia-Melchor, Alison R. Fout, " γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes,", Chemical Communications, 58, 2022 , 9626--9629, Source
Debobroto Sensharma, Daniel J. OtextquotesingleHearn, Amin Koochaki, Andrey A. Bezrukov, Naveen Kumar, Benjamin H. Wilson, Matthias Vandichel, Michael J. Zaworotko, " The First Sulfate-Pillared Hybrid Ultramicroporous Material, SOFOUR-1-Zn, and Its Acetylene Capture Properties,", Angewandte Chemie International Edition, , 2022 , , Source
Dualta O Fionnagain, Robert D. Kavanagh, Aline A. Vidotto, Sandra V. Jeffers, Pascal Petit, Stephen Marsden, Julien Morin, Aaron Golden, " Coronal Mass Ejections and Type II Radio Emission Variability during a Magnetic Cycle on the Solar-type Star ϵ Eridani,", The Astrophysical Journal, 924, 2022 , 115, Source
Eavan C. McLoughlin, John E. OtextquotesingleBrien, Cristina Trujillo, Mary J. Meegan, Niamh M. OtextquotesingleBoyle, " Application of 2D EXSY and qNMR Spectroscopy for Diastereomeric Excess Determination Following Chiral Resolution of $upbeta$-Lactams,", ChemistryOpen, , 2022 , , Source
Edgar Galvan, Leonardo Trujillo, Fergal Stapleton, " Semantics in Multi-objective Genetic Programming,", Applied Soft Computing, 115, 2022 , 108143, Source
Edmund Gilbert, Ashwini Shanmugam, Gianpiero L. Cavalleri, " Revealing the recent demographic history of Europe via haplotype sharing in the UK Biobank,", Proceedings of the National Academy of Sciences, 119, 2022 , , Source
Farhan S.M. Ali, Ryan Lacdao Arevalo, Matthias Vandichel, Florian Speck, Eeva-Leena Rautama, Hua Jiang, Olli Sorsa, Kimmo Mustonen, Serhiy Cherevko, Tanja Kallio, " Hydrogen evolution in alkaline medium on intratube and surface decorated PtRu catalyst,", Applied Catalysis B: Environmental, 315, 2022 , 121541, Source
Frederik Claeye, Yosra Boughattas, Erno T. Tornikoski, " Formation of Social Entrepreneurial Intention: A Qualitative Grounded Approach at the Base of the Pyramid,", Administrative Sciences, 12, 2022 , 24, Source
G. Aarts, C. Allton, J. Glesaaen, S. Hands, B. Jäger, S. Kim, M.hspace0.167emP. Lombardo, A.hspace0.167emA. Nikolaev, S.hspace0.167emM. Ryan, J.-I. Skullerud, L.-K. Wu, " Properties of the QCD thermal transition with ", Physical Review D, 105, 2022 , , Source
Gerard Pareras, Silvia Simon, Albert Poater, Miquel Sol`a, " Successive DielstextendashAlder Cycloadditions of Cyclopentadiene to [10]CPP$supset$C$less$sub$greater$60$less$/sub$greater$: A Computational Study,", The Journal of Organic Chemistry, 87, 2022 , 5149--5157, Source
HaoLun Wu, Mohammad Reza Ghaani, Prithwish K. Nandi, Niall J. English, " Investigation of Dipolar Response of the Hydrated Hen-Egg White Lysozyme Complex under Externally Applied Electric Fields: Insights from Non-equilibrium Molecular Dynamics,", The Journal of Physical Chemistry B, , 2022 , , Source
Ibon Alkorta, Rosa M. Claramunt, Jose Elguero, Enrique Gutierrez-Puebla, M. Angeles Monge, Felipe Reviriego, Christian Roussel, " Study of the Addition Mechanism of 1$less$i$greater$H$less$/i$greater$-Indazole and Its 4-, 5-, 6-, and 7-Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions,", The Journal of Organic Chemistry, 87, 2022 , 5866--5881, Source
I~nigo Iribarren, Marianne Rica Garcia, Cristina Trujillo, " Catalyst design within asymmetric organocatalysis,", WIREs Computational Molecular Science, , 2022 , , Source
I. Ponomarev, T. Polcar, P. Nicolini, " New Reactive Force Field for Simulations of Mo2 Crystallization,", The Journal of Physical Chemistry C, 126, 2022 , 9475--9481, Source
James Nelson, Luuk Coopmans, Graham Kells, Stefano Sanvito, " Data-driven time propagation of quantum systems with neural networks,", Physical Review B, 106, 2022 , , Source
J.G. Acheson, E.A. Gallagher, J. Ward, S. McKillop, B. FitzGibbon, A.R. Boyd, B.J. Meenan, P. Lemoine, J.P. McGarry, " Shear testing and failure modelling of calcium phosphate coated AZ31 magnesium alloys for orthopaedic applications,", Surface and Coatings Technology, 429, 2022 , 127944, Source
Jiahao Zhang, Sarah Guerin, Haoran Wu, Bin Xue, Yi Cao, Syed A. M. Tofail, Yancheng Wang, Damien Thompson, Wei Wang, Kai Tao, Deqing Mei, Ehud Gazit, " Modulating vectored non-covalent interactions for layered assembly with engineerable properties,", Bio-Design and Manufacturing, 5, 2022 , 529--539, Source
Ji Liu, Hongliang Lu, David Wei Zhang, Michael Nolan, " Self-limiting nitrogen/hydrogen plasma radical chemistry in plasma-enhanced atomic layer deposition of cobalt,", Nanoscale, 14, 2022 , 4712--4725, Source
John F. Gallagher, Niall Hehir, Pavle Mocilac, Chloe Violin, Brendan F. OConnor, Emmanuel Aubert, Enrique Espinosa, Benoit Guillot, Christian Jelsch, " Probing the Electronic Properties and Interaction Landscapes in a Series of N-(Chlorophenyl)pyridinecarboxamides,", Crystal Growth & Design, 22, 2022 , 3343--3358, Source
John M. Simmie, " C2H5NO Isomers: From Acetamide to 1,2-Oxazetidine and Beyond,", The Journal of Physical Chemistry A, 126, 2022 , 924--939, Source
Joshua M. McMahon, Emmanouil Kioupakis, Stefan Schulz, " Atomistic analysis of Auger recombination in ", Physical Review B, 105, 2022 , , Source
J. Subbotina, V. Lobanski, "Multiscale Modeling of Bio-Nano Interactions of Zero-Valent Silver Nanoparticles ", Journal of Physical Chemistry B, , 2022 , , Source
Julia Savioli, Graeme W. Watson, " Defect chemistry of LaGaO3 doped with divalent cations,", Solid State Ionics, 374, 2022 , 115828, Source
Julie Roste, Oskar A. Landgren, " Impacts of dynamical downscaling on circulation type statistics in the Euro-CORDEX ensemble,", Climate Dynamics, 59, 2022 , 2445--2466, Source
Ketan Madane, Chirag Khalde, Ajinkya Pandit, Vivek Ranade, " Flow Physics of Planar Bistable Fluidic Oscillator with Backflow Limbs,", AIChE Journal, , 2022 , , Source
Lamis Alaa Eldin Refat, Ciaran OMalley, John M. Simmie, Patrick McArdle, Andrea Erxleben, " Differences in Coformer Interactions of the 2,4-Diaminopyrimidines Pyrimethamine and Trimethoprim,", Crystal Growth &$mathsemicolon$ Design, 22, 2022 , 3163--3173, Source
Licheng Zhu, Daniel McCrum, Jennifer Keenahan, " Capability analysis of computational fluid dynamics models in wind shield study on Queensferry Crossing, Scotland,", Proceedings of the Institution of Civil Engineers - Bridge Engineering, , 2022 , 1--13, Source
Luke A. Marchetti, Tobias Krämer, Robert B. P. Elmes, " Amidosquaramides textendash a new anion binding motif with pH sensitive anion transport properties,", Organic &$mathsemicolon$ Biomolecular Chemistry, 20, 2022 , 7056--7066, Source
Luke A. Marchetti, Tobias Krämer, Robert B. P. Elmes, " Amidosquaramides textendash a new anion binding motif with pH sensitive anion transport properties,", Organic & Biomolecular Chemistry, 20, 2022 , 7056--7066, Source
Mahdi Tavakol, Ted J. Vaughan, " Energy dissipation of osteopontin at a HAp mineral interface: Implications for bone biomechanics,", Biophysical Journal, 121, 2022 , 228--236, Source
Manuel Fernandez-Urrutia, Artur Gil, " Resource Communication: ForestAz - Using Google Earth Engine and Sentinel data for forest monitoring in the Azores Islands (Portugal),", Forest Systems, 31, 2022 , eRC01, Source
Marco Lauricella, Mohammad Reza Ghaani, Prithwish K. Nandi, Simone Meloni, Bjorn Kvamme, and Niall J. English, "Double Life of Methanol: Experimental Studies and Nonequilibrium Molecular-Dynamics Simulation of Methanol Effects on Methane-Hydrate Nucleation", J. Phys. Chem. C, 126, 2022 , 6075–6081, Source
Marie-Isabelle Muninger, Dominik Mahr, Wafa Hammedi, " Social media use: A review of innovation management practices,", Journal of Business Research, 143, 2022 , 140--156, Source
Mark T. Mitchison, Archak Purkayastha, Marlon Brenes, Alessandro Silva, John Goold, " Taking the temperature of a pure quantum state,", Physical Review A, 105, 2022 , , Source
M.A. Rodriguez-Olguin, C. Flox, R. Ponce-Perez, R. Lipin, F. Ruiz-Zepeda, J.P. Winczewski, T. Kallio, M. Vandichel, J. Guerrero-Sanchez, J.G.E. Gardeniers, N. Takeuchi, A. Susarrey-Arce, " Chlorine in NiO promotes electroreduction of CO2 to formate,", Applied Materials Today, 28, 2022 , 101528, Source
Martina Bernini, Monika Colombo, Craig Dunlop, Rudolf Hellmuth, Claudio Chiastra, William Ronan, Ted J. Vaughan, " Oversizing of self-expanding Nitinol vascular stents textendash A biomechanical investigation in the superficial femoral artery,", Journal of the Mechanical Behavior of Biomedical Materials, 132, 2022 , 105259, Source
Matteo Cobelli, Paddy Cahalane, Stefano Sanvito, " Local inversion of the chemical environment representations,", Physical Review B, 106, 2022 , , Source
M. Domina, M. Cobelli, S. Sanvito, " Spectral neighbor representation for vector fields: Machine learning potentials including spin,", Physical Review B, 105, 2022 , , Source
Mehdi Tavakol, Ted Vaughan, " The role of the osteocalcin-osteopontin protein complex in bone biomechanics: a key contributor to energy dissipation at mineral-mineral interfaces,", Biophysical Journal, 121, 2022 , 332a, Source
Michele Dully, Shayon Bhattacharya, Vivek Verma, David Murray, Damien Thompson, Tewfik Soulimane, Sarah P. Hudson, " Balanced lipase interactions for degradation-controlled paclitaxel release from lipid cubic phase formulations,", Journal of Colloid and Interface Science, 607, 2022 , 978--991, Source
Mohammad Noor-A-Alam, Michael Nolan, " Large piezoelectric response in ferroelectric/multiferroelectric metal oxyhalide MOX$less$sub$greater$2$less$/sub$greater$ (M ", Nanoscale, 14, 2022 , 11676--11683, Source
Mohammad Noor-A-Alam, Michael Nolan, " Negative Piezoelectric Coefficient in Ferromagnetic 1H-LaBr2 Monolayer,", ACS Applied Electronic Materials, , 2022 , , Source
Mohsen H. Moghimi, Nathan J. Quinlan, " Application of finite volume particle method for axisymmetric modeling of droplet formation in dripping and Rayleigh regimes,", Computers & Fluids, 236, 2022 , 105321, Source
Nirod Kumar Sarangi, Amrutha Prabhakaran, Tia E. Keyes, " Multimodal Investigation into the Interaction of Quinacrine with Microcavity-Supported Lipid Bilayers,", Langmuir, 38, 2022 , 6411--6424, Source
Nived Vilangot~Nhalil, Juie Shetye, J Gerry Doyle, " Detection of spicules termed rapid blueshifted excursions as seen in the chromosphere via Ha and the transition region via Si IV 1394 Å line emission,", Monthly Notices of the Royal Astronomical Society, 515, 2022 , 2672--2680, Source
Olena Synhaivska, Shayon Bhattacharya, Silvia Campioni, Damien Thompson, Peter Niraj Nirmalraj, " Single-Particle Resolution of Copper-Associated Annular $upalpha$-Synuclein Oligomers Reveals Potential Therapeutic Targets of Neurodegeneration,", ACS Chemical Neuroscience, 13, 2022 , 1410--1421, Source
P.S. Kumavat, S. Alimohammadi, S.M. OShaughnessy, " A computational conjugate heat transfer study of a rectangular minichannel undergoing sinusoidal flow pulsations,", International Journal of Thermal Sciences, 182, 2022 , 107790, Source
Ralf Döscher, Mario Acosta, Andrea Alessandri, Peter Anthoni, Thomas Arsouze, Tommi Bergman, Raffaele Bernardello, Souhail Boussetta, Louis-Philippe Caron, Glenn Carver, Miguel Castrillo, Franco Catalano, Ivana Cvijanovic, Paolo Davini, Evelien Dekker, Francisco J. Doblas-Reyes, David Docquier, Pablo Echevarria, Uwe Fladrich, Ramon Fuentes-Franco, Matthias Gröger, Jost v. Hardenberg, Jenny Hieronymus, M. Pasha Karami, Jukka-Pekka Keskinen, Torben Koenigk, Risto Makkonen, Franccois Massonnet, Martin Menegoz, Paul A. Miller, Eduardo Moreno-Chamarro, Lars Nieradzik, Twan van Noije, Paul Nolan, Declan OtextquotesingleDonnell, Pirkka Ollinaho, Gijs van den Oord, Pablo Ortega, Oriol Tinto Prims, Arthur Ramos, Thomas Reerink, Clement Rousset, Yohan Ruprich-Robert, Philippe Le Sager, Torben Schmith, Roland Schrödner, Federico Serva, Valentina Sicardi, Marianne Sloth Madsen, Benjamin Smith, Tian Tian, Etienne Tourigny, Petteri Uotila, Martin Vancoppenolle, Shiyu Wang, David Waarlind, Ulrika Willen, Klaus Wyser, Shuting Yang, Xavier Yepes-Arbos, Qiong Zhang, " The EC-Earth3 Earth system model for the Coupled Model Intercomparison Project 6,", Geoscientific Model Development, 15, 2022 , 2973--3020, Source
Ramin Ghiyasi, Anish Philip, Ji Liu, Jaakko Julin, Timo Sajavaara, Michael Nolan, Maarit Karppinen, " Atomic Layer Deposition of Intermetallic Fe4Zn9 Thin Films from Diethyl Zinc,", Chemistry of Materials, 34, 2022 , 5241--5248, Source
Ransell DSouza, Jose D. Querales-Flores, Jiang Cao, Stephen Fahy, Ivana Savic, " Temperature Induced Band Convergence, Intervalley Scattering, and Thermoelectric Transport in p-Type PbTe,", ACS Applied Energy Materials, , 2022 , , Source
R. Brose, I. Sushch, J. Mackey , "Core-collapse supernovae in dense environments - particle acceleration and non-thermal emission", Monthly Notices of the Royal Astronomical Society, 516, 2022 , 492-505, Source
R Brose, I Sushch, J Mackey, " Core-collapse supernovae in dense environments textendash particle acceleration and non-thermal emission,", Monthly Notices of the Royal Astronomical Society, 516, 2022 , 492--505, Source
Rita Mullins, Jose Julio Gutierrez Moreno, Michael Nolan, " Origin of enhanced thermal atomic layer etching of amorphous HfO$less$sub$greater$2$less$/sub$greater$,", Journal of Vacuum Science &$mathsemicolon$ Technology A, 40, 2022 , 022604, Source
Robert D Kavanagh, Aline A Vidotto, Harish K Vedantham, Moira M Jardine, Joe R Callingham, Julien Morin, " Radio masers on WX UMa: hints of a Neptune-sized planet, or magnetospheric reconnection?,", Monthly Notices of the Royal Astronomical Society, 514, 2022 , 675--688, Source
Roxane De Hoe, Frank Janssen, " Re-creation After Business Failure: A Conceptual Model of the Mediating Role of Psychological Capital,", Frontiers in Psychology, 13, 2022 , , Source
Saeed Saedy, Nico Hiemstra, Dominik Benz, Hao Van Bui, Michael Nolan, J. Ruud van Ommen, " Dual promotional effect of Cu$less$sub$greater$$less$i$greater$x$less$/i$greater$$less$/sub$greater$O clusters grown with atomic layer deposition on TiO$less$sub$greater$2$less$/sub$greater$ for photocatalytic hydrogen production,", Catalysis Science &$mathsemicolon$ Technology, 12, 2022 , 4511--4523, Source
Sam Afoullouss, Anthony R. Sanchez, Laurence K. Jennings, Younghoon Kee, A. Louise Allcock, Olivier P. Thomas, " Unveiling the Chemical Diversity of the Deep-Sea Sponge Characella pachastrelloides,", Marine Drugs, 20, 2022 , 52, Source
Saviour I. Okeke, Noel M. Harrison, Mingming Tong, " Computational modelling of dynamic recrystallisation of Ni-based superalloy during linear friction welding,", The International Journal of Advanced Manufacturing Technology, , 2022 , , Source
Serban Danielescu, Mihai Cristian Adamescu, Sorin Cheval, Alexandru Dumitrescu, Constantin Cazacu, Mihaela Borcan, Carmen Postolache, " Climate Change Impacts on Hydrological Processes in a South-Eastern European Catchment,", Water, 14, 2022 , 2325, Source
Shane Dooley, Graham Kells, " Extreme many-body scarring in a quantum spin chain via weak dynamical constraints,", Physical Review B, 105, 2022 , , Source
Smruti Ranjan Sahoo, Charles H. Patterson, " Charge transfer excitons in pi-stacked thiophene oligomers and P3[Alkyl]T crystals: CIS calculations and electroabsorption spectroscopy,", The Journal of Chemical Physics, 157, 2022 , 074901, Source
Sokeibelemaye Nwauche, Frederik Claeye, " Institutional Voids: An Impediment to Social Enterprises in the Achievement of the Sustainable Development Goals in South Africa,", Journal of Social Entrepreneurship, , 2022 , 1--23, Source
Sousa Javan Nikkhah, Pierre A. Cazade, Jennifer J. McManus, Damien Thompson, " Design Rules for Antibody Delivery by Self-Assembled Block-Copolyelectrolyte Nanocapsules,", Macromolecules, 55, 2022 , 2383--2397, Source
Sudharsan Srinivasan, Harry E.A. Van den Akker, Orest Shardt, " Inclusion of DLVO forces in simulations of non-Brownian solid suspensions: Rheology and structure,", International Journal of Multiphase Flow, 149, 2022 , 103929, Source
Tassadit Kourat, Dalila Smadhi, Azzeddine Madani, " Modeling the Impact of Future Climate Change Impacts on Rainfed Durum Wheat Production in Algeria,", Climate, 10, 2022 , 50, Source
T. Geng, H. Liu, Q. Wang, F. Dias, "Wave scattering by a three-dimensional submerged horizontal rectangular plate in a channel: experiments and numerical computations", Journal of Fluid Mechanics, 935 , 2022 , A23, Source
Thomas F. Flint, Gowthaman Parivendhan, Alojz Ivankovic, Michael C. Smith, Philip Cardiff, " beamWeldFoam: Numerical simulation of high energy density fusion and vapourisation-inducing processes,", SoftwareX, 18, 2022 , 101065, Source
Thorsten O. Schmidt, Apinya Ngoipala, Ryan L. Arevalo, Sebastian A. Watzele, Raju Lipin, Regina M. Kluge, Shujin Hou, Richard W. Haid, Anatoliy Senyshyn, Elena L. Gubanova, Aliaksandr S. Bandarenka, Matthias Vandichel, " Elucidation of StructuretextendashActivity Relations in Proton Electroreduction at Pd Surfaces: Theoretical and Experimental Study,", Small, 18, 2022 , 2202410, Source
Vignesh Kumaravel, Maria Barbara Maccioni, Snehamol Mathew, Steven J. Hinder, John Bartlett, Michael Nolan, Suresh C. Pillai, " Unravelling the Impact of Ta Doping on the Electronic and Structural Properties of Titania: A Combined Theoretical and Experimental Approach,", The Journal of Physical Chemistry C, 126, 2022 , 2285--2297, Source
Vivek Sinha, Elena Khramenkova, Evgeny A. Pidko, " Solvent-mediated outer-sphere CO$less$sub$greater$2$less$/sub$greater$ electro-reduction mechanism over the Ag111 surface,", Chemical Science, 13, 2022 , 3803--3808, Source
Vivek Verma, Rodrigo Soto, Shayon Bhattacharya, Damien Thompson, Kevin M. Ryan, Luis Padrela, " Thermodynamic solubility of celecoxib in organic solvents,", CrystEngComm, 24, 2022 , 698--710, Source
Vivek Verma, Rodrigo Soto, Shayon Bhattacharya, Damien Thompson, Kevin M. Ryan, Luis Padrela, " Thermodynamic solubility of celecoxib in organic solvents,", CrystEngComm, 24, 2022 , 698--710, Source
Vu Ha Anh Nguyen, Alessandro Lunghi, " Predicting tensorial molecular properties with equivariant machine learning models,", Physical Review B, 105, 2022 , , Source
Yu Chen, Sarah Guerin, Hui Yuan, Joseph ODonnell, Bin Xue, Pierre-Andre Cazade, Ehtsham Ul Haq, Linda J. W. Shimon, Sigal Rencus-Lazar, Syed A. M. Tofail, Yi Cao, Damien Thompson, Rusen Yang, Ehud Gazit, " Guest Molecule-Mediated Energy Harvesting in a Conformationally Sensitive PeptidetextendashMetal Organic Framework,", Journal of the American Chemical Society, 144, 2022 , 3468--3476, Source
Yun Ji Park, Marconi N. Pe~nas-Defrutos, Michael J. Drummond, Zachary Gordon, Oscar R. Kelly, Ian J. Garvey, Kelly L. Gullett, Max Garcia-Melchor, Alison R. Fout, " Secondary Coordination Sphere Influences the Formation of Fe(III)-O or Fe(III)-OH in Nitrite Reduction: A Synthetic and Computational Study,", Inorganic Chemistry, 61, 2022 , 8182--8192, Source

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