Roemelt M - Search Results

1

The trials and triumphs of modelling X-ray absorption spectra of transition metal phthalocyanines.

Boydas EB, Roemelt M. Boydas EB, et al. Among authors: roemelt m. Phys Chem Chem Phys. 2024 Jul 31;26(30):20376-20387. doi: 10.1039/d4cp01900h. Phys Chem Chem Phys. 2024. PMID: 39015952

2

Valence-to-core X-ray emission spectroscopy of transition metal tetrahalides: mechanisms governing intensities.

Roemelt C, Peredkov S, Neese F, Roemelt M, DeBeer S. Roemelt C, et al. Among authors: roemelt m. Phys Chem Chem Phys. 2024 Jul 24;26(29):19960-19975. doi: 10.1039/d4cp00967c. Phys Chem Chem Phys. 2024. PMID: 38994715

3

Oxygen sensitivity of [FeFe]-hydrogenase: a comparative study of active site mimics inside vs. outside the enzyme.

Yadav S, Haas R, Boydas EB, Roemelt M, Happe T, Apfel UP, Stripp ST. Yadav S, et al. Among authors: roemelt m. Phys Chem Chem Phys. 2024 Jul 17;26(28):19105-19116. doi: 10.1039/d3cp06048a. Phys Chem Chem Phys. 2024. PMID: 38957092

4

Identification, Characterization, and Electronic Structures of Interconvertible Cobalt-Oxygen TAML Intermediates.

Malik DD, Ryu W, Kim Y, Singh G, Kim JH, Sankaralingam M, Lee YM, Seo MS, Sundararajan M, Ocampo D, Roemelt M, Park K, Kim SH, Baik MH, Shearer J, Ray K, Fukuzumi S, Nam W. Malik DD, et al. Among authors: roemelt m. J Am Chem Soc. 2024 May 22;146(20):13817-13835. doi: 10.1021/jacs.3c14346. Epub 2024 May 8. J Am Chem Soc. 2024. PMID: 38716885 Free PMC article.

5

Two Allogons of an O₂ -activating Bis(disiloxido)ferrate(II) Accessible Selectively just by Variation of the Crystallization Temperature.

Beckmann F, Woite P, Yelin S, Kass D, Usvyat D, Roemelt M, Limberg C. Beckmann F, et al. Among authors: roemelt m. Chemistry. 2024 Feb 26;30(12):e202303614. doi: 10.1002/chem.202303614. Epub 2024 Jan 10. Chemistry. 2024. PMID: 38055220

6

A configuration-based heatbath-CI for spin-adapted multireference electronic structure calculations with large active spaces.

Ugandi M, Roemelt M. Ugandi M, et al. Among authors: roemelt m. J Comput Chem. 2023 Dec 5;44(31):2374-2390. doi: 10.1002/jcc.27203. Epub 2023 Aug 17. J Comput Chem. 2023. PMID: 37589287

7

A Copper Cage-Complex as Mimic of the pMMO Cu_C Site.

Bete SC, May LK, Woite P, Roemelt M, Otte M. Bete SC, et al. Among authors: roemelt m. Angew Chem Int Ed Engl. 2022 Aug 26;61(35):e202206120. doi: 10.1002/anie.202206120. Epub 2022 Jul 19. Angew Chem Int Ed Engl. 2022. PMID: 35731651 Free PMC article.

8

Electrochemistry and Reactivity of Chelation-stabilized Hypervalent Bromine(III) Compounds.

Mohebbati N, Sokolovs I, Woite P, Lõkov M, Parman E, Ugandi M, Leito I, Roemelt M, Suna E, Francke R. Mohebbati N, et al. Among authors: roemelt m. Chemistry. 2022 Jul 26;28(42):e202200974. doi: 10.1002/chem.202200974. Epub 2022 Jun 10. Chemistry. 2022. PMID: 35510557 Free PMC article.

9

Synthesis of an Fe(terpy-cage)₂ dumbbell.

Dournel F, Koshan M, Woite P, Roemelt M, Otte M. Dournel F, et al. Among authors: roemelt m. RSC Adv. 2022 Jan 26;12(6):3402-3405. doi: 10.1039/d1ra08994c. eCollection 2022 Jan 24. RSC Adv. 2022. PMID: 35425387 Free PMC article.

10

Linking metal-organic cages pairwise as a design approach for assembling multivariate crystalline materials.

Markwell-Heys AW, Roemelt M, Slattery AD, Linder-Patton OM, Bloch WM. Markwell-Heys AW, et al. Among authors: roemelt m. Chem Sci. 2021 Nov 30;13(1):68-73. doi: 10.1039/d1sc05663h. eCollection 2021 Dec 22. Chem Sci. 2021. PMID: 35059152 Free PMC article.

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