Michael Roemelt

X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor

Kyle M. Lancaster, Michael Roemelt, Patrick Ettenhuber et al. · Science · 2011 · 879 citations

Natural Sciences, Biochemistry, Chemistry +12

A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy

Michael Roemelt, Dimitrios Maganas, Serena DeBeer et al. · The Journal of Chemical Physics · 2013 · 276 citations

Natural Sciences, Chemistry, Physics +17

First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin–orbit coupled configuration interaction approaches

Dimitrios Maganas, Michael Roemelt, Michael Hävecker et al. · Physical Chemistry Chemical Physics · 2013 · 154 citations · Full text

Natural Sciences, Chemistry, Physics +17

Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal–Ligand Interactions in Coordination Compounds

Michael Roemelt, Martha A. Beckwith, Carole Duboc et al. · Inorganic Chemistry · 2011 · 130 citations

Natural Sciences, Chemistry, Materials Science +17

Manganese Kβ X-ray Emission Spectroscopy As a Probe of Metal–Ligand Interactions

Martha A. Beckwith, Michael Roemelt, Marie‐Noëlle Collomb et al. · Inorganic Chemistry · 2011 · 127 citations

Natural Sciences, Chemistry, Computational Chemistry +16