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Items Authored or Edited by Elaine Moore

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Number of items: 36.

2018

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. restricted access item, not available for direct download

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. file

2017

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. file

2013

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

2012

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. file

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 Li0.5-0.5xMgxFe2-0.5xO4. Materials Research Bulletin, 47(12) pp. 3995–4000.

2011

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.

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. file

Moore, Elaine (2011). Computational modelling of inorganic solids. Annual Reports on the Progress of Chemistry, Section A: Inorganic Chemistry, 107 restricted access item, not available for direct download

2009

Crabb, Eleanor and Moore, E. A. eds. (2009). Metals and Life. Cambridge: RSC Publishing.

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.

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.

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.

2008

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.

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

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.

2007

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

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

2005

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.

2004

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.

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.

2003

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.

2002

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

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.

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.

2001

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.

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.

2000

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.

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

1999

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.

1998

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.

This list was generated on Sun Apr 22 23:21:15 2018 BST.

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