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Nanotechnology|February 5, 2019
The origin of negative charging in amorphous Al2O3 films: the role of native defectsOliver A Dicks, Jonathon Cottom, Alexander L Shluger, et al.ACS Omega|March 11, 2024
Modeling the Effects of Varying the Ti Concentration on the Mechanical Properties of Cu-Ti AlloysVasileios Fotopoulos, Corey S O'Hern, Mark D Shattuck, et al.The Journal of Chemical Physics|February 3, 2019
First principles calculations of optical properties for oxygen vacancies in binary metal oxidesJack Strand, Sergey K Chulkov, Matthew B Watkins, et al.Physical Review Letters|November 13, 2007
Theoretical prediction of intrinsic self-trapping of electrons and holes in monoclinic HfO2D Muñoz Ramo, A L Shluger, J L Gavartin, et al.Journal of Computational Chemistry|July 21, 2010
QM/MM method for metal-organic interfacesMaria L Sushko, Peter V Sushko, Igor V Abarenkov, et al.Nature Communications|March 26, 2014
Hydride ions in oxide hosts hidden by hydroxide ionsKatsuro Hayashi, Peter V Sushko, Yasuhiro Hashimoto, et al.Nano Letters|July 9, 2010
Unambiguous determination of the adsorption geometry of a metal--organic complex on a bulk insulatorKnud Lämmle, Thomas Trevethan, Alexander Schwarz, et al.Journal of Computational Chemistry|April 21, 2015
Efficient parametrization of complex molecule-surface force fieldsDavid Z Gao, Filippo Federici Canova, Matthew B Watkins, et al.Materials (Basel, Switzerland)|February 25, 2023
Difference in Structure and Electronic Properties of Oxygen Vacancies in α-Quartz and α-Cristobalite Phases of SiO2Katherine L Milton, Thomas R Durrant, Teofilo Cobos Freire, et al.Physical Review Letters|October 4, 2003
Electron localization and a confined electron gas in nanoporous inorganic electridesPeter V Sushko, Alexander L Shluger, Katsuro Hayashi, et al.Pageof 9