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Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations
Faculty
Science
Year:
2012
Type of Publication:
ZU Hosted
Pages:
2743 – 2751
Authors:
Wael Salah AbdelHalim
Staff Zu Site
Abstract In Staff Site
Journal:
International Journal of Quantum Chemistry Wiley
Volume:
15
Keywords :
Spin quenching , , , complexes , , binding with , deposited
Abstract:
An attempt has been made to analyze the spin quenching properties of Mn, as a representative of transition metals, in MnMgO, MnCaO, OCMnMgO, and OCMnCaO complexes formed at the regular (001) surfaces of MgO and CaO, as well as the a
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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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Wael Salah AbdelHalim, "Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study", Springer, 2012
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Wael Salah AbdelHalim, "Spin quenching of transition metals deposited on MgO insulator and CdO semiconductor density functional calculations", Wiley, 2011
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Wael Salah AbdelHalim, "Characterization of van der Waals interaction potentialsD4h andTd configurations of He4", Wiley, 2000
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Hamdy Aldedamony , "Effect of substitution of granulated slag by air-cooled slag on the properties of alkali activated slag", Ceramics International, 2014
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