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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