Neese F - Search Results

1

A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.

Wang CC, Chang HC, Lai YC, Fang H, Li CC, Hsu HK, Li ZY, Lin TS, Kuo TS, Neese F, Ye S, Chiang YW, Tsai ML, Liaw WF, Lee WZ. Wang CC, et al. Among authors: neese f. J Am Chem Soc. 2016 Nov 2;138(43):14186-14189. doi: 10.1021/jacs.6b08642. Epub 2016 Oct 20. J Am Chem Soc. 2016. PMID: 27726348

2

Electronic structure and reactivity of low-spin Fe(III)-hydroperoxo complexes: comparison to activated bleomycin.

Lehnert N, Neese F, Ho RY, Que L Jr, Solomon EI. Lehnert N, et al. Among authors: neese f. J Am Chem Soc. 2002 Sep 11;124(36):10810-22. doi: 10.1021/ja012621d. J Am Chem Soc. 2002. PMID: 12207537

In contrast, ABLM has a somewhat different electronic structure where no pi donor bond between the hydroperoxo ligand and iron(III) is present [Neese, F.; Zaleski, J. M.; Loeb-Zaleski, K.; Solomon, E. I. J. Am. ...

In contrast, ABLM has a somewhat different electronic structure where no pi donor bond between the hydroperoxo ligand and iron(III) is prese …

3

Noninnocence of the ligand glyoxal-bis(2-mercaptoanil). The electronic structures of [Fe(gma)]2, [Fe(gma)(py)] x py, [Fe(gma)(CN)]1-/0, [Fe(gma)I], and [Fe(gma)(PR3)(n)] (n = 1, 2). Experimental and theoretical evidence for "excited state" coordination.

Ghosh P, Bill E, Weyhermüller T, Neese F, Wieghardt K. Ghosh P, et al. Among authors: neese f. J Am Chem Soc. 2003 Feb 5;125(5):1293-308. doi: 10.1021/ja021123h. J Am Chem Soc. 2003. PMID: 12553831

4

Structural, spectroscopic, and computational study of an octahedral, non-heme [Fe-NO](6-8) Series: [Fe(NO)(cyclam-ac)]2+/+/0.

Serres RG, Grapperhaus CA, Bothe E, Bill E, Weyhermüller T, Neese F, Wieghardt K. Serres RG, et al. Among authors: neese f. J Am Chem Soc. 2004 Apr 28;126(16):5138-53. doi: 10.1021/ja030645+. J Am Chem Soc. 2004. PMID: 15099097

5

Molecular and electronic structures of bis-(o-diiminobenzosemiquinonato)metal(II) complexes (Ni, Pd, Pt), their monocations and -anions, and of dimeric dications containing weak metal-metal bonds.

Herebian D, Bothe E, Neese F, Weyhermüller T, Wieghardt K. Herebian D, et al. Among authors: neese f. J Am Chem Soc. 2003 Jul 30;125(30):9116-28. doi: 10.1021/ja030123u. J Am Chem Soc. 2003. PMID: 15369369

6

The electronic structure of the isoelectronic, square-planar complexes [FeII(L)2]2- and [CoIII(L Bu)2]- (L2- and (L Bu)2-=benzene-1,2-dithiolates): an experimental and density functional theoretical study.

Ray K, Begum A, Weyhermüller T, Piligkos S, van Slageren J, Neese F, Wieghardt K. Ray K, et al. Among authors: neese f. J Am Chem Soc. 2005 Mar 30;127(12):4403-15. doi: 10.1021/ja042803i. J Am Chem Soc. 2005. PMID: 15783223

7

Toward identification of the compound I reactive intermediate in cytochrome P450 chemistry: a QM/MM study of its EPR and Mössbauer parameters.

Schöneboom JC, Neese F, Thiel W. Schöneboom JC, et al. Among authors: neese f. J Am Chem Soc. 2005 Apr 27;127(16):5840-53. doi: 10.1021/ja0424732. J Am Chem Soc. 2005. PMID: 15839682

8

Theoretical bioinorganic chemistry: the electronic structure makes a difference.

Kirchner B, Wennmohs F, Ye S, Neese F. Kirchner B, et al. Among authors: neese f. Curr Opin Chem Biol. 2007 Apr;11(2):134-41. doi: 10.1016/j.cbpa.2007.02.026. Epub 2007 Mar 8. Curr Opin Chem Biol. 2007. PMID: 17349817 Review.

9

Spectroscopic and computational evaluation of the structure of the high-spin Fe(IV)-oxo intermediates in taurine: alpha-ketoglutarate dioxygenase from Escherichia coli and its His99Ala ligand variant.

Sinnecker S, Svensen N, Barr EW, Ye S, Bollinger JM Jr, Neese F, Krebs C. Sinnecker S, et al. Among authors: neese f. J Am Chem Soc. 2007 May 16;129(19):6168-79. doi: 10.1021/ja067899q. Epub 2007 Apr 24. J Am Chem Soc. 2007. PMID: 17451240

10

Calibration of modern density functional theory methods for the prediction of 57Fe Mössbauer isomer shifts: meta-GGA and double-hybrid functionals.

Römelt M, Ye S, Neese F. Römelt M, et al. Among authors: neese f. Inorg Chem. 2009 Feb 2;48(3):784-5. doi: 10.1021/ic801535v. Inorg Chem. 2009. PMID: 19102678

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