Currently browsing: Items authored or edited by Elaine Moore https://orcid.org/0000-0003-4418-0536

Al-Rashdi, K. S.; Elzain, M. E.; Al-Barwani, M. S.; Moore, E. A. and Widatallah, H. M. (2023). Computational modeling of the defect structure, hyperfine and magnetic properties of the Mn2+-doped magnetite of the composition Mn Fe3-O4 (y = ⅔ x). Materials Research Bulletin, 159, article no. 112095.

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Al-Rashdi, K. S; Widatallah, H. M; Elzain, M. E; Gismelseed, A. M; Al-Rawas, A. D; Myint, M. T. Z; Al Mawali, F; Al-Harthi, S. H; Moore, Elaine and Crabb, Eleanor (2020). Structural, 57 Fe Mössbauer and XPS studies of mechanosynthesized nanocrystalline Nd0.33Eu0.67Fe1-xCrxO3 particles. Materials Research Bulletin, 132, article no. 111004.

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Ayub, Ibrar; Berry, Frank J.; Johnson, Clive; Johnson, David A.; Moore, Elaine A.; Ren, Xiaolin and Widatallah, Hisham M. (2002). Tin-, titanium-, and magnesium-doped alpha-Cr2O3: characterisation and rationalisation of the structures. Solid State Communications, 123(3-4) pp. 141–145.

Ayub, Ibrar; Berry, Frank J.; Bilsborrow, Robert L.; Helgason, Orn; Mercader, Roberto C.; Moore, Elaine A.; Stewart, Silvana J. and Wynn, Paul G. (2001). Influence of zinc doping on the structural and magnetic properties of alpha-Fe2O3. Journal of Solid State Chemistry, 156(2) pp. 408–414.

Bardow, Andre; Bizzarri, Claudia; Cao, Xiangkun Elvis; Cowan, Alexander J.; Cummings, Charles; Del Angel Hernandez, Veronica; Doan, Huan; Dowson, George; Ghosh, Sourav; Gil, Vanesa; Gugujonovic, Katarina; Kamali, Ali Reza; König, Max; Leitner, Walter; Luo, Jisiwei; Madhav, Dharmjeet; Maneiro, Marcelino; Manyar, Haresh; McCord, Stephen; Moore, Elaine; North, Michael; Pant, Deepak; Perry, Samuel; Poon, Jeffrey; Rossi, Liane; Ruiz Esquius, Jonathan; Schreiber, Moritz; Shozi, Mzamo; Sick, Volker; Styring, Peter; Tanveer, Waqas; Thomas, Ollie; Whiston, Keith and Yu, Eileen (2021). Emerging technologies: general discussion. Faraday Discussions, 230 pp. 388–412.

Berry, Frank J.; Coomer, Fiona C.; Hancock, Cathryn; Helgason, Őrn; Moore, Elaine A.; Slater, Peter R.; Wright, Adrian J. and Thomas, Michael F. (2011). Structure and magnetic properties of the cubic oxide fluoride BaFeO₂F. Journal of Solid State Chemistry, 184(6) pp. 1361–1366.

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Berry, Frank J.; Bowfield, Andrew F.; Coomer, Fiona C.; Jackson, Simon D.; Moore, Elaine A.; Slater, Peter R.; Thomas, Michael F.; Wrtght, Adrian J. and Ren, Xiaolin (2009). Fluorination of perovskite-related phases of composition SrFe1-xSnxO3-delta. Journal of Physics: Condensed Matter, 21(25) p. 256001.

Berry, F. J.; Lyubutin, I. S.; Moore, E. A.; Thomas, M. F. and Dmitrieva, T. V. (2009). Magnetic order in tin-doped thiospinels. Materials Chemistry and Physics, 113(2-3) pp. 714–716.

Berry, Frank J.; Moore, Elaine; Mortimer, Michael; Ren, Xiaolin; Heap, Richard; Slater, Peter and Thomas, Michael F. (2008). Synthesis and structural investigation of a new oxide fluoride of composition Ba2SnO2.5F3·xH2O (x≈0.5). Journal of Solid State Chemistry, 181(9) pp. 2185–2190.

Berry, F. J.; Heap, R.; Helgason, O.; Moore, E. A.; Shim, S.; Slater, P. R. and Thomas, M. F. (2008). Magnetic order in perovskite-related SrFeO2F. Journal of Physics: Condensed Matter, 20(21) pp. 215207–215212.

Berry, F. J.; Moore, E. A.; Ren, X.; Helgason, Ö.; Thomas, M. F. and Shim, S. (2008). Iron-57 Mössbauer spectroscopic study of fluorinated strontium orthoferrite. Hyperfine Interactions, 185(1-3) pp. 111–114.

Berry, Frank; Helgason, Om; Moore, Elaine; Mosselmans, Frederick and Ren, Xiaolin (2004). The Magnetic hyperfine field in tin-doped Fe3O4: variations during oxidation and subsequent phase transformations. Journal of Physics: Condensed Matter, 16(28) pp. 5119–5128.

Berry, Frank; Bohorquez, A; Helgason, O; Jiang, J; Marco, J; Moore, Elaine and Morup, S (2003). Nanocrystalline Oxides and Sulphides prepared by Hydrothermal Processing and Mechanical Milling. In: Mashlan, Miroslav; Miglierini, Marcel and Schaaf, Peter eds. Material Research in Atomic Scale by Mossbauer Spectroscopy. NATO Science Series II: Mathematics, Physics and Chemistry (94). Netherlands: Springer, pp. 1–10.

Berry, Frank J.; Carbicicchio, Massimo; Chiari, Alessandra; Johnson, Clive; Moore, Elaine A.; Mortimer, Michael and Vetel, Frederic F. F. (2000). The location of europium in Eu³⁺-exchanged zeolite-Y as determined by extended X-ray absorption fine structure (EXAFS) investigations at 77 K. Journal of Materials Chemistry, 10(9) pp. 2131–2136.

Berry, Frank J.; Helgason, Örn; Bohórquez, Alberto; Marco, José F.; McManus, Julia; Moore, Elaine; Mørup, Steen and Wynn, Paul G. (2000). Preparation and characterisation of tin-doped α-FeOOH (goethite). Journal of Materials Chemistry, 10(7) pp. 1643–1648.

Berry, Frank J.; Bohórquez, Alberto and Moore, Elaine A. (1998). Rationalisation of defect structure of tin- and titanium-doped α-Fe₂O₃ using interatomic potential calculations. Solid State Communications, 109(3) pp. 207–211.

Johnson, Clive; Moore, Elaine A. and Mortimer, Michael (2005). Periodic ab initio calculation of nuclear quadrupole parameters as an assignment tool in solid state NMR spectroscopy: applications to ²³Na NMR spectra of crystalline materials. Solid State Nuclear Magnetic Resonance, 27(3) pp. 155–164.

Johnson, Clive; Moore, Elaine A. and Mortimer, Michael (2000). An assignment of the ²³Na MAS NMR spectrum of Na₅P₃O₁₀·6H₂O using a general ab initio method. Chemical Communications, 9 pp. 791–792.

Moore, Elaine A. (2022). Explaining Renewable Energy. Boca Raton, Florida and Abingdon, Oxfordshire: CRC Press Taylor and Francis Group.

Moore, Elaine and Smart, Lesley (2021). Solid State Chemistry: An Introduction (5th edition). Abingdon, UK and Boca Raton, USA: CRC press.

Moore, E. A.; Mohammed, A. A.; Widatallah, H. M. and Arbab, A. I. (2019). Fluorinated perovskite as magnetic spin-polarised semiconductor. Solid State Communications, 264 pp. 39–42.

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Moore, Elaine Ann and Xu, Yao-Zhong (2017). The effect of S-substitution at the O6-guanine site on the structure and dynamics of a DNA oligomer containing a G:T mismatch. PLoS ONE, 12(9), article no. e0184801.

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Moore, Elaine Ann (2013). Computational modelling of inorganic solids. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry, 109 pp. 421–435.

Moore, Elaine Ann (2012). Computational modelling of inorganic solids. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry, 108(1) pp. 449–463.

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Moore, Elaine (2011). Computational modelling of inorganic solids. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry, 107 pp. 459–472.

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Moore, Elaine (2008). Computational modelling of inorganic solids. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry, 104 pp. 46–63.

Moore, Elaine (2007). First-principles study of the mixed oxide alpha-FeCrO3. Physical Review B, 76(19) p. 195107.

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Moore, Elaine and Widatallah, Hisham (2007). Iron(III) as a defect in diantimony tetroxide. Materials Research Bulletin, 43(8-9) pp. 2361–2367.

Moore, Elaine (2002). Ab initio calculations of Co shielding in model complexes. International Journal of Molecular Sciences, 3(8) pp. 873–887.

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Moore, Elaine A.; Widatallah, Hisham M. and Berry, Frank J. (2002). Prediction of defect structure in lithiated tin- and titanium-doped alpha-Fe2O3 using atomistic simulation. Journal of Physics and Chemistry of Solids, 63(3) pp. 519–523.

Moore, Elaine A. and Mason, Joan (2002). 15N NMR shielding tensors in bent nitrosyl complexes of cobalt. Journal of Molecular Structure, 602 - 603 pp. 347–356.

Mason, Joan; Larkworthy, Leslie and Moore, Elaine (2002). Nitrogen NMR spectroscopy of metal nitrosyls and related compounds. Chemical Reviews, 102(4) pp. 913–934.

Moore, Elaine; Bohorquez, A.; Berry, Frank; Helgason, O. and Marco, J.F. (2001). Investigation of defect structures formed by doping tetravalent ions into spinel-related iron oxides using atomistic simulation calculations. Journal of Physics and Chemistry of Solids, 62 pp. 1277–1284.

Moore, E. A. (2000). Absolute ¹⁵N shielding in dinitrogen trioxide: recalculation of the shielding tensors. Chemical Physics Letters, 317(3-5) pp. 360–364.

Moore, Elaine A.; Mortimer, Michael; Wigglesworth, Christopher and Williams, Martin A.K. (1999). The energy barrier to reorientationa motion of the triflouromethyl group in lithium trifluormathanesulphonate and its complex with poly(ethylene oxide): a comparison between modelling and NMR relaxation measurements. Chemical Physics Letters, 308(5-6) pp. 503–508.

Moore, E. A. (1999). Relativistic chemical shielding: formally exact solutions for one-electron atoms of maximum total angular momentum for any principal quantum number. Molecular Physics, 97(3) pp. 375–380.

Tzotzos, George; Iley, Jim N. and Moore, Elaine A. (2018). New insights on repellent recognition by Anopheles gambiae odorant-binding protein 1. PLoS ONE, 13(4), article no. e0194724.

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Widatallah, Hisham M.; Al-Barwani, Muataz S.; Moore, Elaine A. and Elzain, Mohamed E. (2018). Atomistic and ab initio DFT modelling of the defect structures in Al³⁺/Cr³⁺-doped and co-doped Y₃Fe₅O₁₂. Journal of Physics and Chemistry of Solids, 119 pp. 100–106.

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Widatallah, H. M.; Moore, E. A.; Babo, A. A.; Al-Barwani, M. S. and Elzain, M. (2012). Atomistic simulation and ab initio study of the defect structure of spinel-related Li_0.5-0.5xMg_xFe_2-0.5xO₄. Materials Research Bulletin, 47(12) pp. 3995–4000.

Widatallah, H. M.; Al-Harthi, S. H.; Johnson, C.; Klencsár, Z.; Gimelseed, A. M.; Moore, E. A.; Al-Rawas, A. D.; Wynter, C. I. and Brown, D. E. (2011). Formation, cationic site exchange and surface structure of mechanosynthesized EuCrO₃ nanocrystalline particles. Journal of Physics D: Applied Physics, 44(26), article no. 265403.

Widatallah, H. M.; Al-Rawas, A. D.; Johnson, C.; Al-Harthi, S. H.; Gismelseed, A. M.; Moore, E. A. and Stewart, S. J. (2009). The Formation of Nanocrystalline SrFeO3−δ Using Mechano-Synthesis and Subsequent Sintering: Structural and Mössbauer Studies. Journal of Nanoscience and Nanotechnology, 9(4) p. 2510.

Widatallah, H.M. and Moore, E.A. (2004). Defect clusters in titanium-substituted spinel-related lithium ferrite. Journal of Physics and Chemistry of Solids, 65(10) pp. 1663–1667.