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SANTOS-CARBALLAL, DAVID [Author]
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Peck, Mogamat A. et al.
Density Functional Theory Study of the Adsorption of Oxygen and Hydrogen on 3d Transition Metal Surfaces with Varying Magnetic Ordering
.
S.Afr.j.chem. (Online)
, 2021, vol.74, p.69-72. ISSN 0379-4350
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Ungerer, Marietjie J. et al.
Competitive Adsorption of H
2
O and SO
2
on Catalytic Platinum Surfaces: a Density Functional Theory Study
.
S.Afr.j.chem. (Online)
, 2021, vol.74, p.57-68. ISSN 0379-4350
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Meerholz, Kyle et al.
Thermodynamics of the Atomic Distribution in Pt
3
Pd
2
, Pt
2
Pd
3
and their Corresponding (111) Surfaces
.
S.Afr.j.chem. (Online)
, 2021, vol.74, p.36-41. ISSN 0379-4350
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Malatji, Kemeridge T. et al.
Controlling the Lithium Intercalation Voltage in the Li(Mn
1-x
Ni
x
)
2
O
4
Spinel
via
Tuning of the Ni Concentration: a Density Functional Theory Study
.
S.Afr.j.chem. (Online)
, 2021, vol.74, p.3-7. ISSN 0379-4350
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Cadi-Essadek, Abdelaziz et al.
DFT+U Study of the Electronic, Magnetic and Mechanical Properties of Co, CoO, and Co
3
O
4
.
S.Afr.j.chem. (Online)
, 2021, vol.74, p.8-16. ISSN 0379-4350
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Santos-Carballal, David, van Sittert, Cornelia G.C.E. and de Leeuw, Nora H.
Africa-UK Partnership for the Computer-aided Development of Sustainable Catalysts
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S.Afr.j.chem. (Online)
, 2021, vol.74, p.1-2. ISSN 0379-4350
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