Département de chimie moléculaire

How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II., Beckwith, Martha A., Ames William, Vila Fernando D., Krewald Vera, Pantazis Dimitrios A., Mantel Claire, Pécaut Jacques, Gennari Marcello, Duboc Carole, Collomb Marie-Noelle, et al. , J. Am. Chem. Soc., Volume 137, Number 40, p.12815–12834, (2015)

Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal-Ligand Interactions in Coordination Compounds., Roemelt, Michael, Beckwith Martha A., Duboc Carole, Collomb Marie-Noelle, Neese Frank, and DeBeer Serena. , Inorg. Chem., Volume 51, Number 1, p.680–687, (2012)

Manganese K$\beta$ X-ray Emission Spectroscopy As a Probe of Metal-Ligand Interactions., Beckwith, Martha A., Roemelt Michael, Collomb Marie-Noelle, Duboc Carole, Weng Tsu-Chien, Bergmann Uwe, Glatzel Pieter, Neese Frank, and DeBeer Serena. , Inorg. Chem., Volume 50, Number 17, p.8397–8409, (2011)