Selenium Valence-to-Core X-ray Emission Spectroscopy and Kβ HERFD X-ray Absorption Spectroscopy as Complementary Probes of Chemical and Electronic Structure

por Henthorn, Justin T., DeBeer, Serena
Publicado 2022

A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study

por Maganas, Dimitrios, DeBeer, Serena, Neese, Frank
Publicado 2017

Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers

por Chilkuri, Vijay Gopal, DeBeer, Serena, Neese, Frank
Publicado 2019

Preparation and spectroscopic characterization of lyophilized Mo nitrogenase

por Van Stappen, Casey, Decamps, Laure, DeBeer, Serena
Publicado 2020

An Fe(6)C Core in All Nitrogenase Cofactors

por Decamps, Laure, Rice, Derek B., DeBeer, Serena
Publicado 2022

Carbon Monoxide Binding to the Iron–Molybdenum Cofactor of Nitrogenase: a Detailed Quantum Mechanics/Molecular Mechanics Investigation

por Spiller, Nico, Bjornsson, Ragnar, DeBeer, Serena, Neese, Frank
Publicado 2021

From Ylides to Doubly Yldiide-Bridged Iron(II) High Spin Dimers via Self-Protolysis

por Yogendra, Sivathmeehan, Weyhermüller, Thomas, Hahn, Anselm W., DeBeer, Serena
Publicado 2019

Stabilization of intermediate spin states in mixed-valent diiron dichalcogenide complexes

por Henthorn, Justin T., Cutsail, George E., Weyhermüller, Thomas, DeBeer, Serena
Publicado 2022

Phosphorus Kβ X-ray emission spectroscopy detects non-covalent interactions of phosphate biomolecules in situ

por Mathe, Zachary, McCubbin Stepanic, Olivia, Peredkov, Sergey, DeBeer, Serena
Publicado 2021

Study of Iron Dimers Reveals Angular Dependence of Valence-to-Core X-ray Emission Spectra

por Pollock, Christopher J., Lancaster, Kyle M., Finkelstein, Kenneth D., DeBeer, Serena
Publicado 2014

The discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry

por Bjornsson, Ragnar, Neese, Frank, Schrock, Richard R., Einsle, Oliver, DeBeer, Serena
Publicado 2014

Towards a unified understanding of the copper sites in particulate methane monooxygenase: an X-ray absorption spectroscopic investigation

por Cutsail, George E., Ross, Matthew O., Rosenzweig, Amy C., DeBeer, Serena
Publicado 2021

Resolving the structure of the E(1) state of Mo nitrogenase through Mo and Fe K-edge EXAFS and QM/MM calculations

por Van Stappen, Casey, Thorhallsson, Albert Thor, Decamps, Laure, Bjornsson, Ragnar, DeBeer, Serena
Publicado 2019

Kβ X‐Ray Emission Spectroscopic Study of a Second‐Row Transition Metal (Mo) and Its Application to Nitrogenase‐Related Model Complexes

por Castillo, Rebeca G., Henthorn, Justin T., McGale, Jeremy, Maganas, Dimitrios, DeBeer, Serena
Publicado 2020

Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal–Ligand Covalency

por Pollock, Christopher J., Delgado-Jaime, Mario Ulises, Atanasov, Mihail, Neese, Frank, DeBeer, Serena
Publicado 2014

The Fe–V Cofactor of Vanadium Nitrogenase Contains an Interstitial Carbon Atom

por Rees, Julian A, Bjornsson, Ragnar, Schlesier, Julia, Sippel, Daniel, Einsle, Oliver, DeBeer, Serena
Publicado 2015

Spectroscopic X-ray and Mössbauer Characterization of M(6) and M(5) Iron(Molybdenum)-Carbonyl Carbide Clusters: High Carbide-Iron Covalency Enhances Local Iron Site Electron Densit...

por McGale, Jeremy, Cutsail, George E., Joseph, Chris, Rose, Michael J., DeBeer, Serena
Publicado 2019

Structure–Spectroscopy Correlations for Intermediate Q of Soluble Methane Monooxygenase: Insights from QM/MM Calculations

por Schulz, Christine E., Castillo, Rebeca G., Pantazis, Dimitrios A., DeBeer, Serena, Neese, Frank
Publicado 2021

Dual Role of Silver Moieties Coupled with Ordered Mesoporous Cobalt Oxide towards Electrocatalytic Oxygen Evolution Reaction

por Yu, Mingquan, Moon, Gun‐hee, Castillo, Rebeca G., DeBeer, Serena, Weidenthaler, Claudia, Tüysüz, Harun
Publicado 2020

XAS and EPR in Situ Observation of Ru(V) Oxo Intermediate in a Ru Water Oxidation Complex

por Levin, Natalia, Casadevall, Carla, Cutsail, George E., Lloret‐Fillol, Julio, DeBeer, Serena, Rüdiger, Olaf
Publicado 2021