Neese F - Search Results

1

The electronic structures of the S(2) states of the oxygen-evolving complexes of photosystem II in plants and cyanobacteria in the presence and absence of methanol.

Su JH, Cox N, Ames W, Pantazis DA, Rapatskiy L, Lohmiller T, Kulik LV, Dorlet P, Rutherford AW, Neese F, Boussac A, Lubitz W, Messinger J. Su JH, et al. Among authors: neese f. Biochim Biophys Acta. 2011 Jul;1807(7):829-40. doi: 10.1016/j.bbabio.2011.03.002. Epub 2011 Mar 22. Biochim Biophys Acta. 2011. PMID: 21406177 Free article.

2

Electronic structure of the cysteine thiyl radical: a DFT and correlated ab initio study.

van Gastel M, Lubitz W, Lassmann G, Neese F. van Gastel M, et al. Among authors: neese f. J Am Chem Soc. 2004 Feb 25;126(7):2237-46. doi: 10.1021/ja038813l. J Am Chem Soc. 2004. PMID: 14971960

3

Calculating the electron paramagnetic resonance parameters of exchange coupled transition metal complexes using broken symmetry density functional theory: application to a MnIII/MnIV model compound.

Sinnecker S, Neese F, Noodleman L, Lubitz W. Sinnecker S, et al. Among authors: neese f. J Am Chem Soc. 2004 Mar 3;126(8):2613-22. doi: 10.1021/ja0390202. J Am Chem Soc. 2004. PMID: 14982471

4

Hydrogen bond geometries from electron paramagnetic resonance and electron-nuclear double resonance parameters: density functional study of quinone radical anion-solvent interactions.

Sinnecker S, Reijerse E, Neese F, Lubitz W. Sinnecker S, et al. Among authors: neese f. J Am Chem Soc. 2004 Mar 17;126(10):3280-90. doi: 10.1021/ja0392014. J Am Chem Soc. 2004. PMID: 15012159

5

EPR experiments to elucidate the structure of the ready and unready states of the [NiFe] hydrogenase of Desulfovibrio vulgaris Miyazaki F.

van Gastel M, Fichtner C, Neese F, Lubitz W. van Gastel M, et al. Among authors: neese f. Biochem Soc Trans. 2005 Feb;33(Pt 1):7-11. doi: 10.1042/BST0330007. Biochem Soc Trans. 2005. PMID: 15667250

6

Dimanganese catalase--spectroscopic parameters from broken-symmetry density functional theory of the superoxidized Mn(III)/Mn(IV) state.

Sinnecker S, Neese F, Lubitz W. Sinnecker S, et al. Among authors: neese f. J Biol Inorg Chem. 2005 May;10(3):231-8. doi: 10.1007/s00775-005-0633-9. Epub 2005 Apr 14. J Biol Inorg Chem. 2005. PMID: 15830216

7

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. Among authors: neese f. 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.

8

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. Among authors: neese f. Inorg Chem. 2008 Jan 7;47(1):134-42. doi: 10.1021/ic701293n. Epub 2007 Dec 12. Inorg Chem. 2008. PMID: 18072763

9

Density functional theory.

Orio M, Pantazis DA, Neese F. Orio M, et al. Among authors: neese f. Photosynth Res. 2009 Nov-Dec;102(2-3):443-53. doi: 10.1007/s11120-009-9404-8. Photosynth Res. 2009. PMID: 19238578 Free PMC article. Review.

10

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: neese f. Chemistry. 2009;15(20):5108-23. doi: 10.1002/chem.200802456. Chemistry. 2009. PMID: 19326375

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