Year |
Citation |
Score |
2023 |
Ta KM, Cooke DJ, Gillie LJ, Parker SC, Seal S, Wilson PB, Phillips RM, Skelton JM, Molinari M. Infrared and Raman Diagnostic Modeling of Phosphate Adsorption on Ceria Nanoparticles. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 127: 20183-20193. PMID 37850082 DOI: 10.1021/acs.jpcc.3c05409 |
0.419 |
|
2021 |
Tse J, Aziz A, Flitcroft JM, Skelton JM, Gillie LJ, Parker SC, Cooke DJ, Molinari M. Unraveling the Impact of Graphene Addition to Thermoelectric SrTiO and La-Doped SrTiO Materials: A Density Functional Theory Study. Acs Applied Materials & Interfaces. PMID 34405998 DOI: 10.1021/acsami.1c10865 |
0.366 |
|
2020 |
Moxon S, Symington AR, Tse JS, Dawson J, Flitcroft JM, Parker SC, Cooke DJ, Harker RM, Molinari M. The energetics of carbonated PuO surfaces affects nanoparticle morphology: a DFT+U study. Physical Chemistry Chemical Physics : Pccp. PMID 32191781 DOI: 10.1039/D0Cp00021C |
0.431 |
|
2006 |
Cooke DJ, Marmier A, Parker SC. Surface structure of (10(-)10) and (11(-)20) surfaces of ZnO with density functional theory and atomistic simulation. The Journal of Physical Chemistry. B. 110: 7985-91. PMID 16610898 DOI: 10.1021/Jp0564445 |
0.453 |
|
2006 |
Spagnoli D, Cooke DJ, Kerisit S, Parker SC. Molecular dynamics simulations of the interaction between the surfaces of polar solids and aqueous solutions Journal of Materials Chemistry. 16: 1997. DOI: 10.1039/B600808A |
0.457 |
|
2006 |
Parker S, Cooke D, Marmier A, Martin P, Spagnoli D, Sayle D, Watson G. Modelling structure and transport at mineral interfaces at the atomic level Geochimica Et Cosmochimica Acta. 70: A471. DOI: 10.1016/J.Gca.2006.06.1405 |
0.506 |
|
2005 |
Kerisit S, Cooke DJ, Marmier A, Parker SC. Atomistic simulation of charged iron oxyhydroxide surfaces in contact with aqueous solution. Chemical Communications (Cambridge, England). 3027-9. PMID 15959573 DOI: 10.1039/B503899E |
0.442 |
|
2005 |
Kerisit S, Cooke DJ, Spagnoli D, Parker SC. Molecular dynamics simulations of the interactions between water and inorganic solids Journal of Materials Chemistry. 15: 1454. DOI: 10.1039/B415633C |
0.453 |
|
2004 |
Cooke DJ, Redfern SE, Parker SC. Atomistic simulation of the structure and segregation to the (0001) and surfaces of Fe2O3 Physics and Chemistry of Minerals. 31: 507-517. DOI: 10.1007/S00269-004-0396-9 |
0.46 |
|
2003 |
Cooke DJ, Parker SC, Osguthorpe DJ. Calculating the vibrational thermodynamic properties of bulk oxides using lattice dynamics and molecular dynamics Physical Review B. 67. DOI: 10.1103/Physrevb.67.134306 |
0.388 |
|
2001 |
Cooke DJ, Refern SE, Osguthorpe DJ, Parker SC. Structure and stability of iron oxide surfaces and their reactivity with water Radiation Effects and Defects in Solids. 156: 75-79. DOI: 10.1080/10420150108216875 |
0.461 |
|
2000 |
Parker SC, deLeeuw NH, Cooke DJ, Redfern SE. Atomistic modelling of the structure and reactivity of mineral surfaces Acta Crystallographica Section a Foundations of Crystallography. 56: s140-s140. DOI: 10.1107/S0108767300023370 |
0.442 |
|
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