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Search results

• Journal article
  Chan JA, Montanari B, Gale JD, Bennington SM, Taylor JW, Harrison NMet al., 2005,

  Magnetic properties of polymerized C₆₀:: The influence of defects and hydrogen (vol B 70, art no 041403(R), 2004) -: art. no. 049901

  , PHYSICAL REVIEW B, Vol: 71, ISSN: 2469-9950
  • Author Web Link
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  • Citations: 1
• Journal article
  Wander A, Bailey CL, Searle BG, Mukhopadhyay S, Harrison NMet al., 2005,

  Identification of possible Lewis acid sites on the β-AlF₃(100) surface:: an <i>ab initio</i> total energy study

  , PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 7, Pages: 3989-3993, ISSN: 1463-9076
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  • Citations: 29
• Journal article
  Koudriachova MV, de Leeuw SW, Harrison NM, 2004,

  First-principles study of H intercalation in rutile TiO₂ -: art. no. 165421

  , PHYSICAL REVIEW B, Vol: 70, ISSN: 1098-0121
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  • Citations: 51
• Journal article
  Feng XB, Harrison NM, 2004,

  Magnetic coupling constants from a hybrid density functional with 35% Hartree-Fock exchange

  , PHYSICAL REVIEW B, Vol: 70, ISSN: 2469-9950
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  • Citations: 91
• Conference paper
  Sousa C, de Graaf C, Lopez N, Harrison NM, Illas Fet al., 2004,

  <i>Ab inito</i> theory of magnetic interactions at surfaces

  , Meeting on Biological Surfaces and Interfaces, Publisher: IOP Publishing Ltd, Pages: S2557-S2574, ISSN: 0953-8984
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  • Citations: 15
• Journal article
  Chan JA, Montanari B, Gale JD, Bennington SM, Taylor JW, Harrison NMet al., 2004,

  Magnetic properties of polymerized C₆₀:: The influence of defects and hydrogen -: art. no. 041403

  , PHYSICAL REVIEW B, Vol: 70, ISSN: 1098-0121
  • Author Web Link
  • Cite
  • Citations: 67
• Conference paper
  Jorge G, Jaime M, Harrison N, Stern R, Dabkowska H, Gaulin BDet al., 2004,

  High magnetic field magnetization and specific heat of the 2D spin-dimer system SrCu₂(BO₃)₂

  , 6th Latin American Workshop on Magnetism Magnetic Materials and their Applications (VI LAW3M), Publisher: ELSEVIER SCIENCE SA, Pages: 90-92, ISSN: 0925-8388
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  • Citations: 9
• Journal article
  Feng XB, Harrison NM, 2004,

  Electronic structure of CaCuO₂ from the B3LYP hybrid density functional -: art. no. 132502

  , PHYSICAL REVIEW B, Vol: 69, ISSN: 2469-9950
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  • Citations: 37
• Journal article
  Schmidt M, Ratcliff W, Radaelli PG, Refson K, Harrison NM, Cheong SWet al., 2004,

  Spin singlet formation in MgTi₂O₄: Evidence of a helical dimerization pattern - art. no. 056402

  , PHYSICAL REVIEW LETTERS, Vol: 92, ISSN: 0031-9007
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  • Citations: 196
• Journal article
  Koudriachova MV, de Leeuw SW, Harrison NM, 2004,

  Orthorhombic distortion on Li intercalation in anatase

  , PHYSICAL REVIEW B, Vol: 69, ISSN: 1098-0121
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  • Citations: 75
• Journal article
  Muñoz D, Harrison NM, Illas F, 2004,

  Electronic and magnetic structure of LaMnO₃ from hybrid periodic density-functional theory - art. no. 085115

  , PHYSICAL REVIEW B, Vol: 69, ISSN: 2469-9950
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  • Citations: 118
• Journal article
  Montanari B, Harrison NM, 2004,

  Pressure-induced instabilities in bulk TiO₂ rutile

  , JOURNAL OF PHYSICS-CONDENSED MATTER, Vol: 16, Pages: 273-292, ISSN: 0953-8984
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  • Citations: 44
• Journal article
  Feng XB, Harrison NM, 2004,

  Metal-insulator and magnetic transition of NiO at high pressures - art. no. 035114

  , PHYSICAL REVIEW B, Vol: 69, ISSN: 2469-9950
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  • Citations: 59
• Journal article
  Koudriachova MV, Harrison NM, de Leeuw S, 2004,

  First principles predictions for intercalation behaviour

  , Solid State Ionics, Vol: 175, Pages: 829-834, ISSN: 0167-2738
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• Journal article
  Koudriachova MV, Harrison NM, de Leeuw SW, 2004,

  Hydrogen intercalation sites in rutile predicted from ab initio calculations

  , HYDROGEN IN SEMICONDUCTORS, Vol: 813, Pages: 149-154, ISSN: 0272-9172
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• Journal article
  Lindsay R, Michelangeli E, Daniels BG, Polcik M, Verdini A, Floreano L, Morgante A, Muscat J, Harrison NM, Thornton Get al., 2003,

  Surface to bulk charge transfer at an alkali metal/metal oxide interface

  , SURFACE SCIENCE, Vol: 547, Pages: L859-L864, ISSN: 0039-6028
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  • Citations: 22
• Journal article
  Wander A, Bush IJ, Harrison NM, 2003,

  Stability of rocksalt polar surfaces: An <i>ab initio</i> study of MgO(111) and NiO(111) - art. no. 233405

  , PHYSICAL REVIEW B, Vol: 68, ISSN: 2469-9950
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  • Citations: 116
• Journal article
  Gegenwart P, Custers J, Tayama T, Tenya K, Geibel C, Sparn G, Harrison N, Kerschl P, Eckert D, Müller KH, Steglich Fet al., 2003,

  Tuning heavy fermion systems into quantum criticality by magnetic field

  , JOURNAL OF LOW TEMPERATURE PHYSICS, Vol: 133, Pages: 3-15, ISSN: 0022-2291
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  • Citations: 21
• Journal article
  Wander A, Harrison NM, 2003,

  The structure of higher defective ZnO (1 0 (1)over-bar 0)

  , SURFACE SCIENCE, Vol: 529, Pages: L281-L284, ISSN: 0039-6028
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  • Citations: 17
• Journal article
  Koudriachova MV, de Leeuw SW, Harrison NM, 2003,

  A new phase of lithiated titania predicted from first principles

  , CHEMICAL PHYSICS LETTERS, Vol: 371, Pages: 150-156, ISSN: 0009-2614
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  • Citations: 31
• Conference paper
  Koudraichova MV, Harrison NM, de Leeuw SW, 2003,

  Diffusion of Li-ions in rutile. An ab initio study

  , 6th International Symposium on Systems with Fast Ionic Transport (ISSFIT), Publisher: ELSEVIER SCIENCE BV, Pages: 35-38, ISSN: 0167-2738
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  • Citations: 116
• Journal article
  Domínguez-Ariza D, Sousa C, Harrison NM, Ganduglia-Pirovano MV, Illas Fet al., 2003,

  Effect of the surface model on the theoretical description of the chemisorption of atomic hydrogen on Cu(001)

  , SURFACE SCIENCE, Vol: 522, Pages: 185-197, ISSN: 0039-6028
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  • Citations: 26
• Conference paper
  Harrison NA, 2003,

  An introduction to density functional theory

  , Conference of the NATO-Advanced-Study-Institute on Computational Materials Science, Publisher: IOS PRESS, Pages: 45-70, ISSN: 1387-6694
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  • Citations: 18
• Conference paper
  Koudriachova MV, Harrison NM, de Leeuw SW, 2002,

  Open circuit voltage profile for Li-intercalation in rutile and anatase from first principles

  , International Conference on Solid State Ionics, Publisher: ELSEVIER SCIENCE BV, Pages: 189-194, ISSN: 0167-2738
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  • Citations: 81
• Journal article
  Montanari B, Harrison NM, 2002,

  Lattice dynamics of TiO₂ rutile:: influence of gradient corrections in density functional calculations

  , CHEMICAL PHYSICS LETTERS, Vol: 364, Pages: 528-534, ISSN: 0009-2614
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  • Citations: 134
• Conference paper
  Goodrich RG, Alver U, Harrison N, Sarrao JL, Hall D, Fisk Zet al., 2002,

  dHvA measurements on La_1-xCe_xMIn₅ where M=Rh, Ir and Co

  , 4th Conference on Physical Phenomena at High Magnetic Filds, Publisher: WORLD SCIENTIFIC PUBL CO PTE LTD, Pages: 3049-3049, ISSN: 0217-9792
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• Conference paper
  Jung MH, Harrison N, Lacerda AH, Pagliuso PG, Sarrao JL, Thompson JDet al., 2002,

  Anisotropic properties of single-crystalline CeNiGe₂

  , 4th Conference on Physical Phenomena at High Magnetic Filds, Publisher: WORLD SCIENTIFIC PUBL CO PTE LTD, Pages: 3050-3053, ISSN: 0217-9792
  • Author Web Link
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• Journal article
  Koudriachova MV, Harrison NM, de Leeuw SW, 2002,

  Density-functional simulations of lithium intercalation in rutile

  , PHYSICAL REVIEW B, Vol: 65, ISSN: 1098-0121
  • Author Web Link
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  • Citations: 117
• Journal article
  Muscat J, Swamy V, Harrison NM, 2002,

  First-principles calculations of the phase stability of TiO₂ - art. no. 224112

  , PHYSICAL REVIEW B, Vol: 65, ISSN: 2469-9950
  • Cite
  • Citations: 490
• Conference paper
  Koudriachova MV, Harrison NM, de Leeuw SW, 2002,

  Structural deformations in lithium doped titanium dioxide

  , Spring Meeting of the European-Materials-Research-Society, Publisher: ELSEVIER SCIENCE BV, Pages: 235-240, ISSN: 0927-0256
  • Author Web Link
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  • Citations: 25

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