Krewald V - Search Results

1

Identification of the Catalytically Dominant Iron Environment in Iron- and Nitrogen-Doped Carbon Catalysts for the Oxygen Reduction Reaction.

Ni L, Gallenkamp C, Wagner S, Bill E, Krewald V, Kramm UI. Ni L, et al. Among authors: krewald v. J Am Chem Soc. 2022 Sep 21;144(37):16827-16840. doi: 10.1021/jacs.2c04865. Epub 2022 Aug 29. J Am Chem Soc. 2022. PMID: 36036727

2

On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalysts.

Krewald V, Neese F, Pantazis DA. Krewald V, et al. J Am Chem Soc. 2013 Apr 17;135(15):5726-39. doi: 10.1021/ja312552f. Epub 2013 Apr 8. J Am Chem Soc. 2013. PMID: 23527603

3

Spectroscopic discernibility of dopants and axial ligands in pyridinic FeN₄ environments relevant to single-atom catalysts.

Gallenkamp C, Kramm UI, Krewald V. Gallenkamp C, et al. Among authors: krewald v. Chem Commun (Camb). 2021 Jan 28;57(7):859-862. doi: 10.1039/d0cc06237e. Chem Commun (Camb). 2021. PMID: 33427246

4

Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy.

Chrysina M, Drosou M, Castillo RG, Reus M, Neese F, Krewald V, Pantazis DA, DeBeer S. Chrysina M, et al. Among authors: krewald v. J Am Chem Soc. 2023 Nov 29;145(47):25579-25594. doi: 10.1021/jacs.3c06046. Epub 2023 Nov 16. J Am Chem Soc. 2023. PMID: 37970825 Free PMC article.

5

FeN₄ Environments upon Reduction: A Computational Analysis of Spin States, Spectroscopic Properties, and Active Species.

Gallenkamp C, Kramm UI, Krewald V. Gallenkamp C, et al. Among authors: krewald v. JACS Au. 2024 Feb 22;4(3):940-950. doi: 10.1021/jacsau.3c00714. eCollection 2024 Mar 25. JACS Au. 2024. PMID: 38559729 Free PMC article.

6

Applying Nuclear Forward Scattering as In Situ and Operando Tool for the Characterization of FeN₄ Moieties in the Hydrogen Evolution Reaction.

Heppe N, Gallenkamp C, Snitkoff-Sol RZ, Paul SD, Segura-Salas N, Haak H, Moritz DC, Kaiser B, Jaegermann W, Potapkin V, Jafari A, Schünemann V, Leupold O, Elbaz L, Krewald V, Kramm UI. Heppe N, et al. Among authors: krewald v. J Am Chem Soc. 2024 May 8;146(18):12496-12510. doi: 10.1021/jacs.4c00436. Epub 2024 Apr 17. J Am Chem Soc. 2024. PMID: 38630640 Free PMC article.

7

Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactions.

Ames W, Pantazis DA, Krewald V, Cox N, Messinger J, Lubitz W, Neese F. Ames W, et al. Among authors: krewald v. J Am Chem Soc. 2011 Dec 14;133(49):19743-57. doi: 10.1021/ja2041805. Epub 2011 Nov 17. J Am Chem Soc. 2011. PMID: 22092013

8

How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.

Beckwith MA, Ames W, Vila FD, Krewald V, Pantazis DA, Mantel C, Pécaut J, Gennari M, Duboc C, Collomb MN, Yano J, Rehr JJ, Neese F, DeBeer S. Beckwith MA, et al. Among authors: krewald v. J Am Chem Soc. 2015 Oct 14;137(40):12815-34. doi: 10.1021/jacs.5b00783. Epub 2015 Sep 29. J Am Chem Soc. 2015. PMID: 26352328

9

The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge.

Lohmiller T, Krewald V, Sedoud A, Rutherford AW, Neese F, Lubitz W, Pantazis DA, Cox N. Lohmiller T, et al. Among authors: krewald v. J Am Chem Soc. 2017 Oct 18;139(41):14412-14424. doi: 10.1021/jacs.7b05263. Epub 2017 Oct 3. J Am Chem Soc. 2017. PMID: 28921983

10

Metal oxidation states in biological water splitting.

Krewald V, Retegan M, Cox N, Messinger J, Lubitz W, DeBeer S, Neese F, Pantazis DA. Krewald V, et al. Chem Sci. 2015 Mar 1;6(3):1676-1695. doi: 10.1039/c4sc03720k. Epub 2015 Jan 9. Chem Sci. 2015. PMID: 29308133 Free PMC article.

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