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A Multispectroscopic Study of 3 d Orbitals in Cobalt Carboxylates: The High Sensitivity of 2p3d Resonant X-ray Emission Spectroscopy to the Ligand Field
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Kβ X‐Ray Emission Spectroscopic Study of a Second‐Row Transition Metal (Mo) and Its Application to Nitrogenase‐Related Model Complexes
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To Transfer or Not to Transfer? Development of a Dinitrosyl Iron Complex as a Nitroxyl Donor for the Nitroxylation of an Fe III -Porphyrin Center
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High resolution 1s core hole X-ray spectroscopy in 3d transition metal complexes—electronic and structural information
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Contributions to the development of ruthenium-based sensitizers for dye-sensitized solar cells
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Insights into the Geometric and Electronic Structure of Transition Metal Centers from Valence-to-Core X-ray Emission Spectroscopy
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Critical Overview of the Use of Ru(II) Polypyridyl Complexes as Photosensitizers in One-Photon and Two-Photon Photodynamic Therapy
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October 2017 |
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Decoupling Cationic–Anionic Redox Processes in a Model Li-Rich Cathode via Operando X-ray Absorption Spectroscopy
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November 2017 |
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Ruthenium 4d-to-2p X-ray Emission Spectroscopy: A Simultaneous Probe of the Metal and the Bound Ligands
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May 2020 |
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Kβ Valence to Core X-ray Emission Studies of Cu(I) Binding Proteins with Mixed Methionine – Histidine Coordination. Relevance to the Reactivity of the M- and H-sites of Peptidylglycine Monooxygenase
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March 2016 |
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Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X-ray Scattering (RIXS)
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July 2018 |
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Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory
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Probing Sulfur Chemical and Electronic Structure with Experimental Observation and Quantitative Theoretical Prediction of Kα and Valence-to-Core Kβ X-ray Emission Spectroscopy
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June 2020 |
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Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives
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Probing Transient Valence Orbital Changes with Picosecond Valence-to-Core X-ray Emission Spectroscopy
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Disentangling Transient Charge Density and Metal–Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering
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Excited State Dynamics and Isomerization in Ruthenium Sulfoxide Complexes
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Visible Light Photoredox Catalysis with Transition Metal Complexes: Applications in Organic Synthesis
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Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption
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Gaussian Basis Set and Planewave Relativistic Spin−Orbit Methods in NWChem
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High-Resolution X-ray Emission Spectroscopy of Molybdenum Compounds
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X-ray absorption spectra of ruthenium L edges in hexaammineruthenium trichloride
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Electronic and Molecular Structure of Photoexcited [Ru II (bpy) 3 ] 2+ Probed by Picosecond X-ray Absorption Spectroscopy
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Valence-to-Core X-ray Emission Spectroscopy: A Sensitive Probe of the Nature of a Bound Ligand
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Understanding the Electronic Structure of 4d Metal Complexes: From Molecular Spinors to L-Edge Spectra of a di-Ru Catalyst
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Strained Ruthenium Complexes Are Potent Light-Activated Anticancer Agents
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Simulating Ru L 3 -Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers
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May 2013 |
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Time-Dependent Density Functional Theory Modeling of Spin–Orbit Coupling in Ruthenium and Osmium Solar Cell Sensitizers
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A Smooth Solvation Potential Based on the Conductor-Like Screening Model
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Probing the Electronic Structure of a Photoexcited Solar Cell Dye with Transient X-ray Absorption Spectroscopy
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June 2012 |
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Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)5 in solution
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April 2015 |
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Transient metal-centered states mediate isomerization of a photochromic ruthenium-sulfoxide complex
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May 2018 |
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Spin waves and spin-state transitions in a ruthenate high-temperature antiferromagnet
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March 2019 |
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The nature of frontier orbitals under systematic ligand exchange in (pseudo-)octahedral Fe( ii ) complexes
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January 2018 |
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Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies
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First-order derivative couplings between excited states from adiabatic TDDFT response theory
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Analytic derivative couplings in time-dependent density functional theory: Quadratic response theory versus pseudo-wavefunction approach
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A versatile Johansson-type tender x-ray emission spectrometer
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Excited state charge distribution and bond expansion of ferrous complexes observed with femtosecond valence-to-core x-ray emission spectroscopy
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Nonresonant valence-to-core x-ray emission spectroscopy of niobium
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4 d Electronic structure analysis of ruthenium in the perovskite oxides by Ru K - and L -edge XAS
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