| 1 |
Organic Mixed-Valence Compounds and the Overhauser Effect in Insulating Solids
Pylaeva S, Marx P, Singh G, Kuhne TD, Roemelt M, Elgabarty H
Journal of Physical Chemistry A, 125(3), 867, 2021 |
| 2 |
Modulating Effect of Ligand Charge on the Electronic Properties of 2Ni-2S Structures and Implications for Biological 2M-2S Sites
Berkefeld A, Roemelt M, Romelt C, Schubert H, Jeschke G
Inorganic Chemistry, 59(23), 17234, 2020 |
| 3 |
An Ab Initio Computational Study of Electronic and Structural Factors in the Isomerization of Donor-Acceptor Stenhouse Adducts
Ugandi M, Roemelt M
Journal of Physical Chemistry A, 124(38), 7756, 2020 |
| 4 |
Homogeneously Catalyzed Electroreduction of Carbon Dioxide-Methods, Mechanisms, and Catalysts
Francke R, Schille B, Roemelt M
Chemical Reviews, 118(9), 4631, 2018 |
| 5 |
EPR/ENDOR and Theoretical Study of the Jahn-Teller-Active [HIPTN3N](MoL)-L-V Complexes (L = N-, NH)
Sharma A, Roemelt M, Reithofer M, Schrock RR, Hoffman BM, Neese F
Inorganic Chemistry, 56(12), 6906, 2017 |
| 6 |
Excited States of Large Open-Shell Molecules: An Efficient, General, and Spin-Adapted Approach Based on a Restricted Open-Shell Ground State Wave function
Roemelt M, Neese F
Journal of Physical Chemistry A, 117(14), 3069, 2013 |
| 7 |
Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal-Ligand Interactions in Coordination Compounds
Roemelt M, Beckwith MA, Duboc C, Collomb MN, Neese F, DeBeer S
Inorganic Chemistry, 51(1), 680, 2012 |
| 8 |
Manganese K beta X-ray Emission Spectroscopy As a Probe of Metal-Ligand Interactions
Beckwith MA, Roemelt M, Collomb MN, DuBoc C, Weng TC, Bergmann U, Glatzel P, Neese F, DeBeer S
Inorganic Chemistry, 50(17), 8397, 2011 |
| 9 |
X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor
Lancaster KM, Roemelt M, Ettenhuber P, Hu YL, Ribbe MW, Neese F, Bergmann U, DeBeer S
Science, 334(6058), 974, 2011 |
| 10 |
Experimental and Theoretical EPR Study of Jahn-Teller-Active [HIPTN3N]MoL Complexes (L = N-2, CO, NH3)
McNaughton RL, Roemelt M, Chin JM, Schrock RR, Neese F, Hoffman BM
Journal of the American Chemical Society, 132(25), 8645, 2010 |
