검색결과 : 19건
No. | Article |
---|---|
1 |
Chemical Descriptors of Yttria-Stabilized Zirconia at Low Defect Concentration: An ab Initio Study Parkes MA, Refson K, d'Ayezac M, Offer GJ, Brandon NP, Harrison NM Journal of Physical Chemistry A, 119(24), 6412, 2015 |
2 |
Structural transformations in graphene studied with high spatial and temporal resolution Warner JH, Rummeli MH, Ge L, Gemming T, Montanari B, Harrison NM, Buchner B, Briggs GAD Nature Nanotechnology, 4(8), 500, 2009 |
3 |
The electronic structure of SrCu2O2 studied by synchrotron radiation excited photoemission and hybrid exchange density functional calculations Hu JP, Payne DJ, Egdell RG, Harrison NM, Dhanak VR Chemical Physics Letters, 450(1-3), 39, 2007 |
4 |
Aluminum chloride as a solid is not a strong Lewis acid Murthy JK, Gross U, Rudiger S, Rao VV, Kumar VV, Wander A, Bailey CL, Harrison NM, Kemnitz E Journal of Physical Chemistry B, 110(16), 8314, 2006 |
5 |
Composition and structure of the alpha-AIF(3)(0001) surface Wander A, Searle BG, Bailey CL, Harrison NM Journal of Physical Chemistry B, 109(48), 22935, 2005 |
6 |
First principles predictions for intercalation behaviour Koudriachova MV, Harrison NM, de Leeuw SW Solid State Ionics, 175(1-4), 829, 2004 |
7 |
A new phase of lithiated titania predicted from first principles Koudriachova MV, de Leeuw SW, Harrison NM Chemical Physics Letters, 371(1-2), 150, 2003 |
8 |
Diffusion of Li-ions in rutile. An ab initio study Koudraichova MV, Harrison NM, de Leeuw SW Solid State Ionics, 157(1-4), 35, 2003 |
9 |
Lattice dynamics of TiO2 rutile: influence of gradient corrections in density functional calculations Montanari B, Harrison NM Chemical Physics Letters, 364(5-6), 528, 2002 |
10 |
Surface model and exchange-correlation functional effects on the description of Pd/alpha-Al2O3(0001) Gomes JRB, Illas F, Hernandez NC, Sanz JF, Wander A, Harrison NM Journal of Chemical Physics, 116(4), 1684, 2002 |