Krewald V - Search Results

1

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.

2

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

3

Cyanate Formation via Photolytic Splitting of Dinitrogen.

Schluschaß B, Borter JH, Rupp S, Demeshko S, Herwig C, Limberg C, Maciulis NA, Schneider J, Würtele C, Krewald V, Schwarzer D, Schneider S. Schluschaß B, et al. Among authors: krewald v. JACS Au. 2021 Jun 28;1(6):879-894. doi: 10.1021/jacsau.1c00117. Epub 2021 May 20. JACS Au. 2021. PMID: 34240082 Free PMC article.

4

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

5

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.

6

Steric Switching From Photochemical to Thermal N₂ Splitting: A Computational Analysis of the Isomerization Reaction {(Cp^*)(Am)Mo}₂(μ-η¹:η¹-N₂) → {(Cp^*)(Am)Mo}₂(μ-N)₂.

Krewald V. Krewald V. Front Chem. 2019 May 16;7:352. doi: 10.3389/fchem.2019.00352. eCollection 2019. Front Chem. 2019. PMID: 31165063 Free PMC article.

7

AOMadillo: A program for fitting angular overlap model parameters.

Buchhorn M, Krewald V. Buchhorn M, et al. Among authors: krewald v. J Comput Chem. 2024 Jan 15;45(2):122-134. doi: 10.1002/jcc.27224. Epub 2023 Sep 28. J Comput Chem. 2024. PMID: 37767988

8

Implications of structural heterogeneity for the electronic structure of the final oxygen-evolving intermediate in photosystem II.

Krewald V, Neese F, Pantazis DA. Krewald V, et al. J Inorg Biochem. 2019 Oct;199:110797. doi: 10.1016/j.jinorgbio.2019.110797. Epub 2019 Aug 1. J Inorg Biochem. 2019. PMID: 31404888

9

Structurally Characterized μ-1,2-Peroxo/Superoxo Dicopper(II) Pair.

Brinkmeier A, Schulz RA, Buchhorn M, Spyra CJ, Dechert S, Demeshko S, Krewald V, Meyer F. Brinkmeier A, et al. Among authors: krewald v. J Am Chem Soc. 2021 Jul 14;143(27):10361-10366. doi: 10.1021/jacs.1c04316. Epub 2021 Jun 30. J Am Chem Soc. 2021. PMID: 34191490

10

Reduction induced S-nucleophilicity in mono-dithiolene molybdenum complexes - in situ generation of sulfonium ligands.

Elvers BJ, Krewald V, Schulzke C, Fischer C. Elvers BJ, et al. Among authors: krewald v. Chem Commun (Camb). 2021 Nov 25;57(94):12615-12618. doi: 10.1039/d1cc05335c. Chem Commun (Camb). 2021. PMID: 34755726

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