Publications of Serena DeBeer
All genres
Journal Article (37)
2015
Journal Article
20 (2), pp. 447 - 460 (2015)
The discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry. Journal of Biological Inorganic Chemistry
Journal Article
6 (3), pp. 1676 - 1695 (2015)
Metal oxidation states in biological water splitting. Chemical Science
Journal Article
641 (1), pp. 65 - 71 (2015)
Molybdenum L‐Edge XAS Spectra of MoFe Nitrogenase. Zeitschrift für anorganische und allgemeine Chemie 2014
Journal Article
118 (35), pp. 20163 - 20175 (2014)
Combined Experimental and Ab Initio Multireference Configuration Interaction Study of the Resonant Inelastic X-ray Scattering Spectrum of CO2. The Journal of Physical Chemistry C
Journal Article
5 (8), pp. 3096 - 3103 (2014)
Identification of a spin-coupled Mo(III) in the nitrogenase iron–molybdenum cofactor. Chemical Science
Journal Article
53 (13), pp. 6374 - 6385 (2014)
Restricted Open-Shell Configuration Interaction Cluster Calculations of the L-Edge X-ray Absorption Study of TiO2 and CaF2 Solids. Inorganic Chemistry
Journal Article
136 (26), pp. 9453 - 9463 (2014)
Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal–Ligand Covalency. Journal of the American Chemical Society
Journal Article
16 (1), pp. 264 - 276 (2014)
L-edge X-ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatz. Physical Chemistry Chemical Physics 2013
Journal Article
15 (48), pp. 20911 - 20920 (2013)
High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory. Physical Chemistry Chemical Physics
Journal Article
52 (22), pp. 12904 - 12914 (2013)
The Protonation States of Oxo-Bridged MnIV Dimers Resolved by Experimental and Computational Mn K Pre-Edge X-ray Absorption Spectroscopy. Inorganic Chemistry
Journal Article
52 (22), pp. 12915 - 12922 (2013)
Experimental and Computational X-ray Emission Spectroscopy as a Direct Probe of Protonation States in Oxo-Bridged MnIV Dimers Relevant to Redox-Active Metalloproteins. Inorganic Chemistry
Journal Article
138 (20), 204101 (2013)
A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy. The Journal of Chemical Physics 2012
Journal Article
134 (19), pp. 8241 - 8253 (2012)
Outer-Sphere Contributions to the Electronic Structure of Type Zero Copper Proteins. Journal of the American Chemical Society
Journal Article
51 (1), pp. 680 - 687 (2012)
Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal–Ligand Interactions in Coordination Compounds. Inorganic Chemistry 2011
Journal Article
334 (6058), pp. 974 - 977 (2011)
X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor. Science
Journal Article
40 (42), pp. 11070 - 11079 (2011)
Prediction of high-valent iron K-edge absorption spectra by time-dependent Density Functional Theory. Dalton Transactions
Journal Article
50 (17), pp. 8397 - 8409 (2011)
Manganese Kβ X-ray Emission Spectroscopy As a Probe of Metal–Ligand Interactions. Inorganic Chemistry Book Chapter (1)
2012
Book Chapter
Schlögl, R.). Walter De Gruyter, Berlin (2012)
4.5 Challenges in Molecular Energy Research. In: Chemical Energy Storage (Ed.