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Results:
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Results: 22
Authors:
Braithwaite, JS
Richard, C
Catlow, A
Harding, JH
Gale, JD
Citation: Js. Braithwaite et al., A theoretical study of lithium intercalation into V6O13 - a combined classical, quantum mechanical approach, PHYS CHEM P, 3(18), 2001, pp. 4052-4059
Authors:
Harding, JH
Harris, DJ
Citation: Jh. Harding et Dj. Harris, Simulation of grain-boundary diffusion in ceramics by kinetic Monte Carlo - art. no. 094102, PHYS REV B, 6309(9), 2001, pp. 4102
Authors:
Norenberg, H
Harding, JH
Citation: H. Norenberg et Jh. Harding, The surface structure of CeO2(001) single crystals studied by elevated temperature STM, SURF SCI, 477(1), 2001, pp. 17-24
Authors:
Norenberg, H
Harding, JH
Citation: H. Norenberg et Jh. Harding, Ca-induced surface reconstructions on TiO2(110) studied by scanning tunneling microscopy, reflection high-energy electron diffraction and atomistic simulation, SURF SCI, 473(1-2), 2001, pp. 151-157
Authors:
Harris, DJ
Brodholt, JP
Harding, JH
Sherman, DM
Citation: Dj. Harris et al., Molecular dynamics simulation of aqueous ZnCl2 solutions, MOLEC PHYS, 99(10), 2001, pp. 825-833
Authors:
Marks, NA
Finnis, MW
Harding, JH
Pyper, NC
Citation: Na. Marks et al., A physically transparent and transferable compressible ion model for oxides, J CHEM PHYS, 114(10), 2001, pp. 4406-4414
Authors:
Braithwaite, JS
Catlow, CRA
Harding, JH
Gale, JD
Citation: Js. Braithwaite et al., A computational study of the high voltage LixCoyMn4-yO8 cathode material, PHYS CHEM P, 2(17), 2000, pp. 3841-3846
Authors:
Harris, DJ
Harding, JH
Watson, GW
Citation: Dj. Harris et al., Computer simulation of the reactive element effect in NiO grain boundaries, ACT MATER, 48(12), 2000, pp. 3039-3048
Authors:
Sayle, DC
Catlow, CRA
Harding, JH
Healy, MJF
Maicaneanu, SA
Parker, SC
Slater, B
Watson, GW
Citation: Dc. Sayle et al., Atomistic simulation methodologies for modelling the nucleation, growth and structure of interfaces, J MAT CHEM, 10(6), 2000, pp. 1315-1324
Authors:
Braithwaite, JS
Catlow, CRA
Gale, JD
Harding, JH
Ngoepe, PE
Citation: Js. Braithwaite et al., Calculated cell discharge curve for lithium batteries with a V2O5 cathode, J MAT CHEM, 10(2), 2000, pp. 239-240
Authors:
Zhukovskii, YF
Kotomin, EA
Jacobs, PWM
Stoneham, AM
Harding, JH
Citation: Yf. Zhukovskii et al., Modelling of silver adhesion on MgO(100) surface with defects, J PHYS-COND, 12(1), 2000, pp. 55-66
Authors:
Venables, JA
Harding, JH
Citation: Ja. Venables et Jh. Harding, Nucleation and growth of supported metal clusters at defect sites on oxideand halide (001) surfaces, J CRYST GR, 211(1-4), 2000, pp. 27-33
Authors:
Harris, DJ
Harding, JH
Parker, SC
Citation: Dj. Harris et al., Simulations of surfaces and interfaces in MgO, RADIAT EFF, 151(1-4), 1999, pp. 299-304
Authors:
Harris, DJ
Harding, JH
Citation: Dj. Harris et Jh. Harding, The effect of impurities on vacancy migration at NiO grain boundaries, RADIAT EFF, 151(1-4), 1999, pp. 305-309
Authors:
Braithwaite, JS
Catlow, CRA
Gale, JD
Harding, JH
Citation: Js. Braithwaite et al., Lithium intercalation into vanadium pentoxide: a theoretical study, CHEM MATER, 11(8), 1999, pp. 1990-1998
Authors:
Norenberg, H
Harding, JH
Citation: H. Norenberg et Jh. Harding, Formation of highly ordered Ca-overlayers on TiO2(110) surfaces studied byscanning tunneling microscopy and atomistic simulation, APPL SURF S, 142(1-4), 1999, pp. 174-176
Authors:
Harding, JH
Harris, DJ
Parker, SC
Citation: Jh. Harding et al., Computer simulation of general grain boundaries in rocksalt oxides, PHYS REV B, 60(4), 1999, pp. 2740-2746
Authors:
de Leeuw, NH
Parker, SC
Harding, JH
Citation: Nh. De Leeuw et al., Molecular dynamics simulation of crystal dissolution from calcite steps, PHYS REV B, 60(19), 1999, pp. 13792-13799
Authors:
Norenberg, H
Harding, JH
Citation: H. Norenberg et Jh. Harding, Ordered structures of calcium oxide on TiO2(110) studied by STM and atomistic simulation, PHYS REV B, 59(15), 1999, pp. 9842-9845
Authors:
Zhukovskii, YF
Kotomin, EA
Jacobs, PWM
Stoneham, AM
Harding, JH
Citation: Yf. Zhukovskii et al., Comparative theoretical study of the Ag-MgO (100) and (110) interfaces, SURF SCI, 441(2-3), 1999, pp. 373-383
Authors:
Harding, JH
Citation: Jh. Harding, The simulation of general polar boundaries, SURF SCI, 422(1-3), 1999, pp. 87-94
Authors:
Harding, JH
Harris, DJ
Parker, SC
Citation: Jh. Harding et al., Atomistic simulation of steps on the MgO(100) surface, SURF SCI, 422(1-3), 1999, pp. L183-L187
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