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Sulfate and Molybdate Incorporation at the Calcite-Water Interface: Insights from Ab Initio Molecular Dynamics.
ACS Earth Space Chem. 2021 Aug 19;5(8):2066-2073. doi: 10.1021/acsearthspacechem.1c00131. Epub 2021 Jul 27.
ACS Earth Space Chem. 2021.
PMID: 34476320
Free PMC article.
Novel WS2-Based Nanofluids for Concentrating Solar Power: Performance Characterization and Molecular-Level Insights.
Martínez-Merino P, Midgley SD, Martín EI, Estellé P, Alcántara R, Sánchez-Coronilla A, Grau-Crespo R, Navas J.
Martínez-Merino P, et al. Among authors: midgley sd.
ACS Appl Mater Interfaces. 2020 Feb 5;12(5):5793-5804. doi: 10.1021/acsami.9b18868. Epub 2020 Jan 24.
ACS Appl Mater Interfaces. 2020.
PMID: 31942792
Free article.
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Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study.
Midgley SD, Hamad S, Butler KT, Grau-Crespo R.
Midgley SD, et al.
J Phys Chem Lett. 2021 Jun 3;12(21):5163-5168. doi: 10.1021/acs.jpclett.1c01031. Epub 2021 May 25.
J Phys Chem Lett. 2021.
PMID: 34032426
Free PMC article.
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Single-site binding of pyrene to poly(ester-imide)s incorporating long spacer-units: prediction of NMR resonance-patterns from a fractal model.
Knappert M, Jin T, Midgley SD, Wu G, Scherman OA, Grau-Crespo R, Colquhoun HM.
Knappert M, et al. Among authors: midgley sd.
Chem Sci. 2020 Oct 9;11(44):12165-12177. doi: 10.1039/d0sc03730c.
Chem Sci. 2020.
PMID: 34123224
Free PMC article.
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Understanding X-ray Photoelectron Spectra of Ionic Liquids: Experiments and Simulations of 1-Butyl-3-methylimidazolium Thiocyanate.
Gousseva E, Midgley SD, Seymour JM, Seidel R, Grau-Crespo R, Lovelock KRJ.
Gousseva E, et al. Among authors: midgley sd.
J Phys Chem B. 2022 Dec 15;126(49):10500-10509. doi: 10.1021/acs.jpcb.2c06372. Epub 2022 Dec 1.
J Phys Chem B. 2022.
PMID: 36455069
Free PMC article.
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