Zein S - Search Results

1

Focusing the view on nature's water-splitting catalyst.

Zein S, Kulik LV, Yano J, Kern J, Pushkar Y, Zouni A, Yachandra VK, Lubitz W, Neese F, Messinger J. Zein S, et al. Philos Trans R Soc Lond B Biol Sci. 2008 Mar 27;363(1494):1167-77; discussion 1177. doi: 10.1098/rstb.2007.2212. Philos Trans R Soc Lond B Biol Sci. 2008. PMID: 17989003 Free PMC article. Review.

2

A systematic density functional study of the zero-field splitting in Mn(II) coordination compounds.

Zein S, Duboc C, Lubitz W, Neese F. Zein S, et al. Inorg Chem. 2008 Jan 7;47(1):134-42. doi: 10.1021/ic701293n. Epub 2007 Dec 12. Inorg Chem. 2008. PMID: 18072763

3

A new quantum chemical approach to the magnetic properties of oligonuclear transition-metal complexes: application to a model for the tetranuclear manganese cluster of photosystem II.

Pantazis DA, Orio M, Petrenko T, Zein S, Bill E, Lubitz W, Messinger J, Neese F. Pantazis DA, et al. Among authors: zein s. Chemistry. 2009;15(20):5108-23. doi: 10.1002/chem.200802456. Chemistry. 2009. PMID: 19326375

4

Structure of the oxygen-evolving complex of photosystem II: information on the S(2) state through quantum chemical calculation of its magnetic properties.

Pantazis DA, Orio M, Petrenko T, Zein S, Lubitz W, Messinger J, Neese F. Pantazis DA, et al. Among authors: zein s. Phys Chem Chem Phys. 2009 Aug 21;11(31):6788-98. doi: 10.1039/b907038a. Epub 2009 Jun 23. Phys Chem Chem Phys. 2009. PMID: 19639153

5

Ab initio and coupled-perturbed density functional theory estimation of zero-field splittings in MnII transition metal complexes.

Zein S, Neese F. Zein S, et al. J Phys Chem A. 2008 Aug 28;112(34):7976-83. doi: 10.1021/jp804062a. Epub 2008 Aug 6. J Phys Chem A. 2008. PMID: 18681414

This is different from our previous DFT study on the same series of complexes where a severe overestimation of the D parameter has been found [ Zein, S. ; Duboc, C. ; Lubitz, W. ; Neese, F. Inorg. Chem. 2008, 47, 134 ]. CASSCF methods have been used to evaluate the …

This is different from our previous DFT study on the same series of complexes where a severe overestimation of the D parameter has been foun …

6

Origin of the zero-field splitting in mononuclear octahedral dihalide MnII complexes: an investigation by multifrequency high-field electron paramagnetic resonance and density functional theory.

Duboc C, Phoeung T, Zein S, Pécaut J, Collomb MN, Neese F. Duboc C, et al. Among authors: zein s. Inorg Chem. 2007 Jun 11;46(12):4905-16. doi: 10.1021/ic062384l. Epub 2007 May 18. Inorg Chem. 2007. PMID: 17508742

7

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. Carmieli R, et al. Among authors: zein s. J Am Chem Soc. 2007 Apr 11;129(14):4240-52. doi: 10.1021/ja066124e. Epub 2007 Mar 17. J Am Chem Soc. 2007. PMID: 17367133 Free PMC article.

8

Investigation of the two-step spin crossover complex Fe[5-NO2-sal-(1,4,7,10)] using density functional theory.

Guillon T, Salmon L, Molnár G, Zein S, Borshch S, Bousseksou A. Guillon T, et al. Among authors: zein s. J Phys Chem A. 2007 Aug 23;111(33):8223-8. doi: 10.1021/jp071686l. Epub 2007 Jun 14. J Phys Chem A. 2007. PMID: 17567114

9

Cooperative spin crossover and order-disorder phenomena in a mononuclear compound [Fe(DAPP)(abpt)](ClO(4))(2) [DAPP = [bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole].

Matouzenko GS, Bousseksou A, Borshch SA, Perrin M, Zein S, Salmon L, Molnar G, Lecocq S. Matouzenko GS, et al. Among authors: zein s. Inorg Chem. 2004 Jan 12;43(1):227-36. doi: 10.1021/ic034450e. Inorg Chem. 2004. PMID: 14704072

10

Quantum chemical study of three polymorphs of the mononuclear spin-transition complex [Fe(DPPA)(NCS)2].

Zein S, Matouzenko GS, Borshch SA. Zein S, et al. J Phys Chem A. 2005 Sep 29;109(38):8568-71. doi: 10.1021/jp051958p. J Phys Chem A. 2005. PMID: 16834255

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