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Surface morphology and interaction between water and MgO, CaO and SrO surfaces Periodic HF and DFT calculations
Faculty
Science
Year:
2004
Type of Publication:
ZU Hosted
Pages:
53–61
Authors:
Wael Salah AbdelHalim
Staff Zu Site
Abstract In Staff Site
Journal:
Applied Surface Science elsevier
Volume:
Keywords :
Surface morphology , interaction between water , MgO,
Abstract:
The dissociation of water molecule at the defect free (0 0 1), (1 1 0) and (2 1 0) five-layer films of the title oxides has been investigated using the periodic HF and DFT levels of ab initio theory together with the 1 1 supercell model i
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Wael Salah AbdelHalim, "DFT calculations of the CO adsorption on Mn, Fe, Co, and Au deposited at MgO (100) and CdO (100)", elsevier, 2012
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Hamdy Aldedamony , "Influence of Silica Fume on the Properties of Sulphate Resisting Cement and Alumina Cement Mixture.", Ceramics-Silikaty,, 2002
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