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Chemical Science|January 21, 2022
Linking metal-organic cages pairwise as a design approach for assembling multivariate crystalline materialsAdrian W Markwell-Heys, Michael Roemelt, Ashley D Slattery, et al.
Inorganic Chemistry|December 8, 2011
Manganese K-edge X-ray absorption spectroscopy as a probe of the metal-ligand interactions in coordination compoundsMichael Roemelt, Martha A Beckwith, Carole Duboc, et al.
Organic Letters|August 26, 2015
Synthesis and Characterization of a Brønsted Pair Functionalized Shape-Persistent MacrocycleAnnette B Vliegenthart, Frank A L Welling, Michael Roemelt, et al.
Physical Chemistry Chemical Physics : PCCP|April 12, 2013
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 approachesDimitrios Maganas, Michael Roemelt, Michael Hävecker, et al.
The Journal of Chemical Physics|October 22, 2025
High-harmonic generation under electronic strong coupling: A time-dependent combined quantum electrodynamics/quantum chemistry studyPaul A Albrecht, Eric W Fischer, Tillmann Klamroth, et al.
Journal of the American Chemical Society|May 1, 2010
Experimental and theoretical EPR study of Jahn-Teller-active [HIPTN(3)N]MoL complexes (L = N(2), CO, NH(3))Rebecca L McNaughton, Michael Roemelt, Jia Min Chin, et al.
The Journal of Chemical Physics|June 8, 2022
Non-Markovian vibrational relaxation dynamics at surfacesEric W Fischer, Michael Werther, Foudhil Bouakline, et al.
Physical Chemistry Chemical Physics : PCCP|July 3, 2024
Oxygen sensitivity of [FeFe]-hydrogenase: a comparative study of active site mimics inside <i>vs.</i> outside the enzymeShanika Yadav, Rieke Haas, Esma Birsen Boydas, et al.
Science (New York, N.Y.)|November 19, 2011
X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactorKyle M Lancaster, Michael Roemelt, Patrick Ettenhuber, et al.
Physical Chemistry Chemical Physics : PCCP|November 20, 2013
L-edge X-ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatzDimitrios Maganas, Michael Roemelt, Thomas Weyhermüller, et al.
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