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Results:
1-18
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Results: 18
Authors:
Parker, SC
de Leeuw, NH
Bourova, E
Cooke, DJ
Citation: Sc. Parker et al., Application of lattice dynamics and molecular dynamics techniques to minerals and their surfaces, REV MIN GEO, 42, 2001, pp. 63-82
Authors:
de Leeuw, NH
Citation: Nh. De Leeuw, Density functional theory calculations of hydrogen-containing defects in forsterite, periclase, and alpha-quartz, J PHYS CH B, 105(40), 2001, pp. 9747-9754
Authors:
de Leeuw, NH
Parker, SC
Citation: Nh. De Leeuw et Sc. Parker, Surface-water interactions in the dolomite problem, PHYS CHEM P, 3(15), 2001, pp. 3217-3221
Authors:
de Leeuw, NH
Citation: Nh. De Leeuw, Local ordering of hydroxy groups in hydroxyapatite, CHEM COMMUN, (17), 2001, pp. 1646-1647
Authors:
de Leeuw, NH
Purton, JA
Citation: Nh. De Leeuw et Ja. Purton, Density-functional theory calculations of the interaction of protons and water with low-coordinated surface sites of calcium oxide - art. no. 195417, PHYS REV B, 6319(19), 2001, pp. 5417
Authors:
de Leeuw, NH
Parker, SC
Sithole, HM
Ngoepe, PE
Citation: Nh. De Leeuw et al., Modeling the surface structure and reactivity of pyrite: Introducing a potential model for FeS2, J PHYS CH B, 104(33), 2000, pp. 7969-7976
Authors:
de Leeuw, NH
Parker, SC
Citation: Nh. De Leeuw et Sc. Parker, Atomistic simulation of mineral surfaces, MOL SIMULAT, 24(1-3), 2000, pp. 71
Authors:
de Leeuw, NH
Parker, SC
Catlow, CRA
Price, GD
Citation: Nh. De Leeuw et al., Modelling the effect of water on the surface structure and stability of forsterite, PHYS CHEM M, 27(5), 2000, pp. 332-341
Authors:
de Leeuw, NH
Purton, JA
Parker, SC
Watson, GW
Kresse, G
Citation: Nh. De Leeuw et al., Density functional theory calculations of adsorption of water at calcium oxide and calcium fluoride surfaces, SURF SCI, 452(1-3), 2000, pp. 9-19
Authors:
de Leeuw, NH
Parker, SC
Citation: Nh. De Leeuw et Sc. Parker, Modeling absorption and segregation of magnesium and cadmium ions to calcite surfaces: Introducing MgCO3 and CdCO3 potential models, J CHEM PHYS, 112(9), 2000, pp. 4326-4333
Authors:
de Leeuw, NH
Parker, SC
Catlow, CRA
Price, GD
Citation: Nh. De Leeuw et al., Proton-containing defects at forsterite {010} tilt grain boundaries and stepped surfaces, AM MINERAL, 85(9), 2000, pp. 1143-1154
Authors:
de Leeuw, NH
Higgins, FM
Parker, SC
Citation: Nh. De Leeuw et al., Modeling the surface structure and stability of alpha-quartz, J PHYS CH B, 103(8), 1999, pp. 1270-1277
Authors:
Parker, SC
de Leeuw, NH
Redfern, SE
Citation: Sc. Parker et al., Atomistic simulation of oxide surfaces and their reactivity with water, FARADAY DIS, (114), 1999, pp. 381-393
Authors:
Parker, SC
de Leeuw, NH
Harris, DJ
Higgins, FM
Oliver, PM
Redfern, SE
Watson, GW
Citation: Sc. Parker et al., Atomistic simulation of oxide dislocations and interfaces, RADIAT EFF, 151(1-4), 1999, pp. 185-195
Authors:
de Leeuw, NH
Parker, SC
Citation: Nh. De Leeuw et Sc. Parker, Computer simulation of dissociative adsorption of water on CaO and MgO surfaces and the relation to dissolution, RES CHEM IN, 25(2), 1999, pp. 195-211
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:
de Leeuw, NH
Parker, SC
Citation: Nh. De Leeuw et Sc. Parker, Effect of chemisorption and physisorption of water on the surface structure and stability of alpha-alumina, J AM CERAM, 82(11), 1999, pp. 3209-3216
Authors:
de Leeuw, NH
Parker, SC
Citation: Nh. De Leeuw et Sc. Parker, Molecular-dynamics simulation of MgO surfaces in liquid water using a shell-model potential for water, PHYS REV B, 58(20), 1998, pp. 13901-13908
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