E-LIB Suche - Ergebnisse für: Roemelt, Michael

1

Identification, Characterization, and Electronic Structures..:

Malik, Deesha D. ; Ryu, Wooyeol ; Kim, Yujeong...
Journal of the American Chemical Society. 146 (2024) 20 - p. 13817-13835 , 2024

Link: https://doi.org/10.1021/..

2

Two Allogons of an O2‐activating Bis(disiloxido)ferrate(II)..:

Beckmann, Fabian ; Woite, Philipp ; Yelin, Stefan...
Chemistry – A European Journal. 30 (2024) 12 - p. , 2024

Link: https://doi.org/10.1002/..

3

Oxygen sensitivity of [FeFe]-hydrogenase: a comparative stu..:

Yadav, Shanika ; Haas, Rieke ; Boydas, Esma Birsen...
Physical Chemistry Chemical Physics. 26 (2024) 28 - p. 19105-19116 , 2024

Link: https://doi.org/10.1039/..

4

The trials and triumphs of modelling X-ray absorption spect..:

Boydas, Esma Birsen ; Roemelt, Michael
Physical Chemistry Chemical Physics. 26 (2024) 30 - p. 20376-20387 , 2024

Link: https://doi.org/10.1039/..

5

Valence-to-core X-ray emission spectroscopy of transition m..:

Roemelt, Christina ; Peredkov, Sergey ; Neese, Frank..
Physical Chemistry Chemical Physics. 26 (2024) 29 - p. 19960-19975 , 2024

Link: https://doi.org/10.1039/..

6

A configuration‐based heatbath‐CI for spin‐adapted multiref..:

Ugandi, Mihkel ; Roemelt, Michael
Journal of Computational Chemistry. 44 (2023) 31 - p. 2374-2390 , 2023

Link: https://doi.org/10.1002/..

7

Another Torture Track for Quantum Chemistry: Reinvestigatio..:

Verplancke, Hendrik ; Diefenbach, Martin ; Lienert, Jonas N....
Israel Journal of Chemistry. 63 (2023) 7-8 - p. , 2023

Link: https://doi.org/10.1002/..

8

Ein Kupfer‐Käfig‐Komplex als Nachahmung der pMMO CuC‐Seite:

Bete, Sarah C. ; May, Leander K. ; Woite, Philipp..
Angewandte Chemie. 134 (2022) 35 - p. , 2022

Link: https://doi.org/10.1002/..

9

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

Dournel, Frederic ; Koshan, Massoud ; Woite, Philipp..
RSC Advances. 12 (2022) 6 - p. 3402-3405 , 2022

Link: https://doi.org/10.1039/..

10

A recursive formulation of one‐electron coupling coefficien..:

Ugandi, Mihkel ; Roemelt, Michael
International Journal of Quantum Chemistry. 123 (2022) 5 - p. , 2022

Link: https://doi.org/10.1002/..

11

A Copper Cage‐Complex as Mimic of the pMMO CuC Site:

Bete, Sarah C. ; May, Leander K. ; Woite, Philipp..
Angewandte Chemie International Edition. 61 (2022) 35 - p. , 2022

Link: https://doi.org/10.1002/..

12

Electrochemistry and Reactivity of Chelation‐stabilized Hyp..:

Mohebbati, Nayereh ; Sokolovs, Igors ; Woite, Philipp...
Chemistry – A European Journal. 28 (2022) 42 - p. , 2022

Link: https://doi.org/10.1002/..

13

Linking metal–organic cages pairwise as a design approach f..:

Markwell-Heys, Adrian W. ; Roemelt, Michael ; Slattery, Ashley D...
Chemical Science. 13 (2022) 1 - p. 68-73 , 2022

Link: https://doi.org/10.1039/..

14

Magnetic exchange coupling in Cu dimers studied with modern..:

Singh, Gurjot ; Gamboa, Stefani ; Orio, Maylis..
Theoretical Chemistry Accounts. 140 (2021) 10 - p. , 2021

Link: https://doi.org/10.1007/..

15

Modern multireference methods and their application in tran..:

Khedkar, Abhishek ; Roemelt, Michael
Physical Chemistry Chemical Physics. 23 (2021) 32 - p. 17097-17112 , 2021

Link: https://doi.org/10.1039/..