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Items: 1 to 20 of 109

1.

Energies and spin states of FeS(0/-), FeS2(0/-), Fe2S2(0/-), Fe3S4(0/-), and Fe4S4(0/-) clusters.

Li YN, Wang S, Wang T, Gao R, Geng CY, Li YW, Wang J, Jiao H.

Chemphyschem. 2013 Apr 15;14(6):1182-9. doi: 10.1002/cphc.201201043. Epub 2013 Mar 7.

PMID:
23471871
2.

Probing the structural, electronic and magnetic properties of multicenter Fe₂S₂⁰/⁻, Fe₃S₄⁰/⁻ and Fe₄S₄⁰/⁻ clusters.

Ding LP, Kuang XY, Shao P, Zhong MM.

J Mol Model. 2013 Apr;19(4):1527-36. doi: 10.1007/s00894-012-1714-7. Epub 2012 Dec 21.

PMID:
23263362
3.

Monothiol glutaredoxins can bind linear [Fe3S4]+ and [Fe4S4]2+ clusters in addition to [Fe2S2]2+ clusters: spectroscopic characterization and functional implications.

Zhang B, Bandyopadhyay S, Shakamuri P, Naik SG, Huynh BH, Couturier J, Rouhier N, Johnson MK.

J Am Chem Soc. 2013 Oct 9;135(40):15153-64. doi: 10.1021/ja407059n. Epub 2013 Sep 26.

4.

Mössbauer and EPR studies of Azotobacter vinelandii ferredoxin I.

Hu Z, Jollie D, Burgess BK, Stephens PJ, Münck E.

Biochemistry. 1994 Dec 6;33(48):14475-85.

PMID:
7981208
5.
6.

Computational studies of modified [Fe3S4] clusters: why iron is optimal.

Jensen KP.

J Inorg Biochem. 2008 Jan;102(1):87-100. Epub 2007 Jul 28.

PMID:
17723245
8.

Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.

Tanifuji K, Tajima S, Ohki Y, Tatsumi K.

Inorg Chem. 2016 May 2;55(9):4512-8. doi: 10.1021/acs.inorgchem.6b00352. Epub 2016 Apr 11.

PMID:
27064714
9.

Iron-sulfur clusters: nature's modular, multipurpose structures.

Beinert H, Holm RH, Münck E.

Science. 1997 Aug 1;277(5326):653-9. Review.

PMID:
9235882
10.

Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters.

Carvalho AT, Swart M.

J Chem Inf Model. 2014 Feb 24;54(2):613-20. doi: 10.1021/ci400718m. Epub 2014 Feb 6. Erratum in: J Chem Inf Model. 2015 Jul 27;55(7):1508.

PMID:
24460186
11.

Reaction sequence of iron sulfide minerals in bacteria and their use as biomarkers.

Pósfai M, Buseck PR, Bazylinski DA, Frankel RB.

Science. 1998 May 8;280(5365):880-3.

12.

Ligand K-edge X-ray absorption spectroscopy and DFT calculations on [Fe3S4]0,+ clusters: delocalization, redox, and effect of the protein environment.

Dey A, Glaser T, Moura JJ, Holm RH, Hedman B, Hodgson KO, Solomon EI.

J Am Chem Soc. 2004 Dec 29;126(51):16868-78.

PMID:
15612726
13.

Iron-sulfur proteins: new roles for old clusters.

Johnson MK.

Curr Opin Chem Biol. 1998 Apr;2(2):173-81. Review.

PMID:
9667933
14.

CASSCF/CASPT2 calculation of the low-lying electronic states of the CH3Se neutral radical and its cation.

Song MX, Zhao ZX, Bai FQ, Liu YJ, Zhang HX, Sun CC.

J Phys Chem A. 2010 Jul 8;114(26):7173-8. doi: 10.1021/jp102321c.

PMID:
20536214
15.
16.

Further characterization of the spin coupling observed in oxidized hydrogenase from Chromatium vinosum. A Mössbauer and multifrequency EPR study.

Surerus KK, Chen M, van der Zwaan JW, Rusnak FM, Kolk M, Duin EC, Albracht SP, Münck E.

Biochemistry. 1994 Apr 26;33(16):4980-93.

PMID:
8161560
17.

Assignment of the photoelectron spectra of FeS3(-) by density functional theory, CASPT2, and RCCSD(T) calculations.

Tran VT, Hendrickx MF.

J Phys Chem A. 2011 Dec 1;115(47):13956-64. doi: 10.1021/jp208824b. Epub 2011 Nov 9.

PMID:
22035064
18.

Quantum Chemical Study of the Low-Lying Electronic States of VSi3(-/0) Clusters and Interpretation of the Anion Photoelectron Spectrum.

Tran VT, Tran QT.

J Phys Chem A. 2016 Jul 28;120(29):5950-7. doi: 10.1021/acs.jpca.6b05653. Epub 2016 Jul 15.

PMID:
27389039
19.

Electronic structure of bis(imino)pyridine iron dichloride, monochloride, and neutral ligand complexes: a combined structural, spectroscopic, and computational study.

Bart SC, Chłopek K, Bill E, Bouwkamp MW, Lobkovsky E, Neese F, Wieghardt K, Chirik PJ.

J Am Chem Soc. 2006 Oct 25;128(42):13901-12.

PMID:
17044718
20.

Sulfur K-edge XAS and DFT calculations on [Fe4S4]2+ clusters: effects of H-bonding and structural distortion on covalency and spin topology.

Dey A, Roche CL, Walters MA, Hodgson KO, Hedman B, Solomon EI.

Inorg Chem. 2005 Nov 14;44(23):8349-54.

PMID:
16270973

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