Author
Mohamed Saadi
Other affiliations: Centre national de la recherche scientifique
Bio: Mohamed Saadi is an academic researcher from Mohammed V University. The author has contributed to research in topics: Ring (chemistry) & Dihedral angle. The author has an hindex of 17, co-authored 275 publications receiving 1167 citations. Previous affiliations of Mohamed Saadi include Centre national de la recherche scientifique.
Papers published on a yearly basis
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TL;DR: The pentahydrated uranyl orthovanadate (UO 2 ) 3 (VO 4 ) 2 ·5H 2 O was synthesized in shaken aqueous solution at 60°C, by reaction of UO 3 or a uranyl salt (acetate or nitrate) and V 2 O 5. Single crystals were obtained by hydrothermal reaction at 180°C as mentioned in this paper.
43 citations
TL;DR: A new cesium uranyl vanadate Cs 4 (UO 2 ) 2 (V 2 O 7 )O 2 ] has been synthesized by solid-state reaction and its structure determined from single-crystal X-ray diffraction data as mentioned in this paper.
42 citations
TL;DR: In this article, two new vanadates, M6(UO2)5(VO4)2O5 with M=Na, K, have been synthesized by solid state reactions and their structures determined from single-crystal X-ray diffraction data.
42 citations
TL;DR: In this paper, the solid-state reactions of UO 3 and WO 3 with M 2 CO 3 (M =Na, K, Rb) at 650°C for 5 days result, accordingly the starting stoichiometry, in the formation of M 2 (UO 2 )(W 2 O 8 ) ( M =Na (1 ), K (2), K ( 2 )), M 2(UO 5 )O (M 2, Rb), Rb (4), and Na 10 (U O 20 )O 8 (W 5 O
40 citations
TL;DR: In this paper, two new potassium uranyl molybdates K2(UO2)2(MoO4)O2 and K8 (UO 2)8 (MoO5)3O6 have been obtained using single crystal X-ray diffraction data, collected with MoKα radiation and a charge coupled device (CCD) detector.
38 citations
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01 Feb 1995
TL;DR: In this paper, the unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio using DFT, MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set.
Abstract: : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg
1,652 citations
TL;DR: This critical review provides an up-to-date survey to this new generation of multifunctional open-framework solids, classified into five different sections: magnetic, chiral, conducting, optical, and labile open-frameworks for sensing applications.
Abstract: The literature on open-framework materials has shown numerous examples of porous solids with additional structural, chemical, or physical properties. These materials show promise for applications ranging from sensing, catalysis and separation to multifunctional materials. This critical review provides an up-to-date survey to this new generation of multifunctional open-framework solids. For this, a detailed revision of the different examples so far reported will be presented, classified into five different sections: magnetic, chiral, conducting, optical, and labile open-frameworks for sensing applications. (413 references.)
989 citations
TL;DR: In this article, 368 inorganic crystal structures that contain essential U6+ are considered (of which 89 are minerals) and arranged on the basis of the topological details of their structural units, which are formed by the polymerization of polyhedra containing higher-valence cations.
Abstract: The crystal structures of uranyl minerals and inorganic uranyl compounds are important for understanding the genesis of U deposits, the interaction of U mine and mill tailings with the environment, transport of actinides in soils and the vadose zone, the performance of geological repositories for nuclear waste, and for the development of advanced materials with novel applications. Over the past decade, the number of inorganic uranyl compounds (including minerals) with known structures has more than doubled, and reconsideration of the structural hierarchy of uranyl compounds is warranted. Here, 368 inorganic crystal structures that contain essential U6+ are considered (of which 89 are minerals). They are arranged on the basis of the topological details of their structural units, which are formed by the polymerization of polyhedra containing higher-valence cations. Overarching structural categories correspond to those based upon isolated polyhedra (8), finite clusters (43), chains (57), sheets (204), and frameworks (56) of polyhedra. Within these categories, structures are organized and compared upon the basis of either their graphical representations, or in the case of sheets involving sharing of edges of polyhedra, upon the topological arrangement of anions within the sheets.
576 citations