Zobrazeno 1 - 7 of 7 pro vyhledávání: '"Samir Meskaldji"'
1
Electronic Structure and Magneto-Structural Correlations Study of Cu2UL Trinuclear Schiff Base Complexes: A 3d-5f-3d Case
Autor: Samir Meskaldji, Lotfi Belkhiri, Rémi Maurice, Karine Costuas, Boris Le Guennic, Abdou Boucekkine, Michel Ephritikhine
Publikováno v: Journal of Physical Chemistry A
Journal of Physical Chemistry A, 2023, 127 (6), pp.1475-1490. ⟨10.1021/acs.jpca.2c08755⟩
International audience; The magnetic properties of trinuclear Schiff base complexes M2AnLi (MII = Zn, Cu; AnIV = Th, U; Li = Schiff base; i = 1-4, 6, 7, 9), exhibiting the [M(mu-O)2]2U core structure with adjacent M1 center dot center dot center dot
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78d921df5b072873e02f5fc78d5f5579
https://hal.science/hal-04011284/file/version-revised-ms.pdf
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2
Electronic structure and magnetic properties of naphthalene- and stilbene-diimide-bridged diuranium(V) complexes: a theoretical study
Autor: Gilberte Chambaud, Majdi Hochlaf, Seddik Boucenina, Samir Meskaldji, Abdou Boucekkine, Roberto Linguerri, Lotfi Belkhiri
Publikováno v: Journal of Molecular Modeling
Journal of Molecular Modeling, Springer Verlag (Germany), 2020, 26 (10), pp.282. ⟨10.1007/s00894-020-04552-9⟩
Journal of Molecular Modeling, 2020, 26 (10), pp.282. ⟨10.1007/s00894-020-04552-9⟩
International audience; The magnetic exchange coupling between two diuranium(V) ions exhibiting the 5f1-5f1 configuration in diimide-bridged complexes [Cp3UV]2(μ-L) (L = stilbene-, naphthalene-diimide) has been investigated theoretically using relat
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::59de1f1f20b2a9fcd6abe4ac97a51cd9
https://doi.org/10.1007/s00894-020-04552-9
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4
A relativistic DFT study of magnetic exchange coupling in ketimide bimetallic uranium(IV) complexes
Autor: Abdellah Zaiter, Abdou Boucekkine, Samir Meskaldji, Lotfi Belkhiri
Publikováno v: Theoretical Chemistry Accounts: Theory, Computation, and Modeling
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2012, 15, pp.184-191. ⟨10.1007/s00214-012-1151-9⟩
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2012, 15, pp.184-191. ⟨10.1007/s00214-012-1151-9⟩
International audience; Magnetic exchange couplings in bis(ketimide) binuclear UIV/UIV complexes [Cp′2UCl]2(μ-ketimide) diuranium(IV) and [(C5H5)2(Cl)An]2(μ-ketimide) (Cp′ = C5Me4Et; ketimide = N=CMe-(C6H4)-MeC=N) have been investigated computa
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01593b45adf9e5ce63c25ef0c6ced056
https://hal.archives-ouvertes.fr/hal-00859596
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5
Magnetic exchange coupling in imido bimetallic uranium(V) complexes. A relativistic DFT study
Autor: Abdou Boucekkine, Samir Meskaldji, Lotfi Belkhiri, Abdelmalik Belkhiri, Michel Ephritikhine
Publikováno v: Comptes Rendus. Chimie
Comptes Rendus. Chimie, Académie des sciences (Paris), 2012, 15 (2-3), pp.184-191. ⟨10.1016/j.crci.2011.07.006⟩
Comptes Rendus. Chimie, 2012, 15 (2-3), pp.184-191. ⟨10.1016/j.crci.2011.07.006⟩
Magnetic exchange coupling between uranium U(V) ions, in the case of the two para- and meta-imido diuranium complexes, respectively [(C 5 H 5 ) 3 U] 2 (μ-1,4-N 2 C 6 H 4 ) and [(C 5 H 5 ) 3 U] 2 (μ-1,3-N 2 C 6 H 4 ) exhibiting the 5f 1 -5f 1 config
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be8abc14d0d9d88ff6fcdd993b08c541
https://hal.archives-ouvertes.fr/hal-00859241
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6
A relativistic DFT study of the electron affinity of the biscyclopentadienyl uranium complexes Cp∗2UX2
Autor: Didier Hauchard, Samir Meskaldji, Lotfi Belkhiri, Mohand Amarouche, Michel Ephritikhine, Abdou Boucekkine, Delphine Bouchet, Caroline Clappe, Aziz Elkechai
Publikováno v: Journal of Molecular Structure: THEOCHEM
Journal of Molecular Structure: THEOCHEM, Elsevier, 2010, 954 (1-3), pp.115-123. ⟨10.1016/j.theochem.2010.02.007⟩
Journal of Molecular Structure: THEOCHEM, 2010, 954 (1-3), pp.115-123. ⟨10.1016/j.theochem.2010.02.007⟩
International audience; Electron affinities (EA) of a series of biscyclopentadienyl uranium complexes Cp∗2UX2 (X2 = (BH4)2, Me2, (NEt2)Cl and (OEt)2) related to the U(III)/U(IV) redox system were calculated using Density Functional Theory (DFT) in
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90f32ee1cade03886dd69c28b3aa08f0
https://hal.archives-ouvertes.fr/hal-00860905
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7
Density functional theory investigations of the homoleptic tris(dithiolene) complexes [M(dddt)(3)](-q) (q = 3, 2 ; M = Nd(3+) and U(3+/4+)) related to lanthanide(III)/actinide(III) differentiation
Autor: Marc Fourmigué, Abdou Boucekkine, Lotfi Belkhiri, Thérèse Arliguie, Samir Meskaldji, Michel Ephritikhine
Publikováno v: Inorganic Chemistry
Inorganic Chemistry, 2010, 49 (7), pp.3192-200. ⟨10.1021/ic902135t⟩
Inorganic Chemistry, American Chemical Society, 2010, 49 (7), pp.3192-200. ⟨10.1021/ic902135t⟩
International audience; The structures of the homoleptic lanthanide and actinide tris(dithiolene) complexes [M(dddt)(3)](q-) (q = 3, M = Nd(3+) and q = 3 or 2, M = U(3+/4+)) have been investigated using relativistic Density Functional Theory (DFT) co
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::527f96cb58a157f5890f5c462c18c192
https://hal.science/hal-00468137
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