High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory.
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Experimental and theoretical correlations between vanadium K-edge X-ray absorption and K[Formula: see text] emission spectraMo6+ activated multimetal oxygen-evolving catalysts.Ca K-edge XAS as a probe of calcium centers in complex systems.Probing Cu(I) in homogeneous catalysis using high-energy-resolution fluorescence-detected X-ray absorption spectroscopy.X-ray Absorption and Emission Study of Dioxygen Activation by a Small-Molecule Manganese ComplexUltraviolet photochemical reaction of [Fe(III)(C2O4)3](3-) in aqueous solutions studied by femtosecond time-resolved X-ray absorption spectroscopy using an X-ray free electron laserSimulations of iron K pre-edge X-ray absorption spectra using the restricted active space method.Molybdenum L-Edge XAS Spectra of MoFe Nitrogenase.Metal oxidation states in biological water splitting† †Electronic supplementary information (ESI) available: Additional methodological details and discussion, Tables S1–S10, Fig. S1–S16, spin populations, parameters of optimized structures, experimeMetal oxidation states in biological water splitting.Metal-Dependent Strengthening and Weakening of M-H and M-C Bonds by an Oxo Ligand: Thermal Gas-Phase Activation of Methane by [OMH]+ and [MH]+ (M=Mo, Ti).Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies.Resolving the Manganese Oxidation States in the Oxygen-evolving Catalyst of Natural PhotosynthesisIdentification of a spin-coupled Mo(iii) in the nitrogenase iron–molybdenum cofactorA Practical Guide to High-resolution X-ray Spectroscopic Measurements and their Applications in Bioinorganic Chemistry
P2860
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P2860
High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory.
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2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
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2013年学术文章
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name
High-resolution molybdenum K-e ...... ent density functional theory.
@en
High-resolution molybdenum K-e ...... ent density functional theory.
@nl
type
label
High-resolution molybdenum K-e ...... ent density functional theory.
@en
High-resolution molybdenum K-e ...... ent density functional theory.
@nl
prefLabel
High-resolution molybdenum K-e ...... ent density functional theory.
@en
High-resolution molybdenum K-e ...... ent density functional theory.
@nl
P2093
P2860
P50
P356
P1476
High-resolution molybdenum K-e ...... ent density functional theory.
@en
P2093
Perumalreddy Chandrasekaran
Pieter Glatzel
Serena DeBeer
P2860
P304
20911-20920
P356
10.1039/C3CP53133C
P407
P577
2013-12-01T00:00:00Z