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Alessandro Lunghi, Stefano Sanvito, "Multiple spin–phonon relaxation pathways in a Kramer single-ion magnet", The Journal of Chemical Physics, 153, 2020, , 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, 2020, 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
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Aneta Mathijsen, François Pierre Mathijsen, "Diasporic medical tourism: a scoping review of quantitative and qualitative evidence", Globalization and Health, 16, 2020, , Source
Ángel Morales-García, Stephen Rhatigan, Michael Nolan, Francesc Illas, "On the use of DFT+U to describe the electronic structure of TiO2 nanoparticles: (TiO2)35 as a case study", The Journal of Chemical Physics, 152, 2020, , Source
Antonia Trotta, J. Michio Clark, Adrian McGoldrick, Michael D Gilchrist, Aisling Ní 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 Dell’Oro, Seth A. Jacobson, Alberto Cellino, Eduardo Unda-Sanzana, "Population control of Mars Trojans by the Yarkovsky & YORP effects", Icarus, 335, 2020, 113370, Source
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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 “big tent”?", Ecological Economics, 169, 2020, 106553, Source
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Azizah M. Malebari, Darren Fayne, Seema M. Nathwani, Fiona O’Connell, Sara Noorani, Brendan Twamley, Niamh M. O’Boyle, Jacintha O’Sullivan, Daniela M. Zisterer, Mary J. Meegan, "β-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 Sundén, "Microwave‐heated γ‐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, , 2020, 215-237, Source
C. P. Folsom, D. Ó Fionnagáin, 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
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 D’Angelo, Aline A Vidotto, Alejandro Esquivel, Gopal Hazra, Allison Youngblood, "GJ 436b and the stellar wind interaction: simulations constraints using Ly α and H α 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, Géraldine Haack, John Goold, "Quasiperiodic quantum heat engines with a mobility edge", Physical Review Research, 2, 2020, , Source
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Daniel Giles, Brian McConnell, Frédéric Dias, "Modelling with Volna-OP2—Towards Tsunami Threat Reduction for the Irish Coastline", Geosciences, 10, 2020, 226, Source
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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
Hélie Moreau, Loïc de Jamblinne de Meux, Vanessa Zeller, Pierre D’Ans, 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 O’Connell, 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 Sánchez-Sanz, José 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
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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 Stipaničev, Stefan S. R. Bernhard, Aurore Guédin, 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
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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
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
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
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John M. Simmie, Judith Würmel, "An Organized Collection of Theoretical Gas-Phase Geometric, Spectroscopic, and Thermochemical Data of Oxygenated Hydrocarbons, CxHyOz (x, y = 1, 2; z = 1–8), of Relevance to Atmospheric, Astrochemical, and Combustion Sciences", Journal of Physical and Chemical Reference Data, 49, 2020, , Source
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Jonathan Mackey, Samuel Green, Maria Moutzouri, Thomas J. Haworth, Robert D. Kavanagh, Maggie Celeste, Robert Brose, Davit Zargaryan, Ciarán O’Rourke, "PION: Simulations of Wind-Blown Nebulae", Proceedings of the International Astronomical Union, 16, 2020, 262-267, Source
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