| 1 |
A systematic density functional study of the zero-field splitting in Mn(II) coordination compounds
Zein S, Duboc C, Lubitz W, Neese F
Inorganic Chemistry, 47(1), 134, 2008 |
| 2 |
Ab initio and coupled-perturbed density functional theory estimation of zero-field splittings in Mn-II transition metal complexes
Zein S, Neese F
Journal of Physical Chemistry A, 112(34), 7976, 2008 |
| 3 |
Origin of the zero-field splitting in mononuclear octahedral dihalide Mn-II complexes: An investigation by multifrequency high-field electron paramagnetic resonance and density functional theory
Duboc C, Phoeung T, Zein S, Pecaut J, Collomb MN, Neese F
Inorganic Chemistry, 46(12), 4905, 2007 |
| 4 |
Investigation of the two-step spin crossover complex Fe[5-NO2-sal-(1,4,7,10)] using density functional theory
Guillon T, Salmon L, Molnar G, Zein S, Borshch S, Bousseksou A
Journal of Physical Chemistry A, 111(33), 8223, 2007 |
| 5 |
Spin crossover phenomenon accompanying order-disorder phase transition in the ligand of [Fe-II(DAPP)(abpt)](ClO4)(2) compound (DAPP bis(3-aminopropyl)(2-pyridylmethyl)amine, abpt=4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) and its successive self-grinding effect
Miyazaki Y, Nakamoto T, Ikeuchi S, Saito K, Inaba A, Sorai M, Tojo T, Atake T, Matouzenko GS, Zein S, Borshch SA
Journal of Physical Chemistry B, 111(43), 12508, 2007 |
| 6 |
The catalytic Mn2+ sites in the enolase-inhibitor complex: Crystallography, single-crystal EPR, and DFT calculations
Carmieli R, Larsen TM, Reed GH, Zein S, Neese F, Goldfarb D
Journal of the American Chemical Society, 129(14), 4240, 2007 |
| 7 |
Quantum chemical study of three polymorphs of the mononuclear spin-transition complex [Fe(DPPA)(NCS)(2)]
Zein S, Matouzenko GS, Borshch SA
Journal of Physical Chemistry A, 109(38), 8568, 2005 |
| 8 |
Energetics of binuclear spin transition complexes
Zein S, Borshch SA
Journal of the American Chemical Society, 127(46), 16197, 2005 |
| 9 |
Quantum-chemical studies of the spin transition complex [Fe(DAPP)(abpt)](ClO4)(2)
Zein S, Matouzenko GS, Borshch SA
Chemical Physics Letters, 397(4-6), 475, 2004 |
| 10 |
Mn/Ni/TiO2 catalyst for the production of hydrogen and carbon nanotubes from methane decomposition
Hussein S, Zein S, Mohamed AR
Energy & Fuels, 18(5), 1336, 2004 |
