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Calculations of near-edge x-ray-absorption spectra of gas-phase and chemisorbed molecules by means of density-functional and transition-potential theory
A Comparative Study of the Catalytic Activity of Ruo2/Ce0.85zr0.15o2 in Oxidation Reactions and Transfer Hydrogention: Impact of Surface Modification with Alkali Ions
Reassessment of the Mechanisms of Thermal C−H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals
Chemical reactivity studies by the natural orbital functional second-order Møller–Plesset (NOF-MP2) method: water dehydrogenation by the scandium cation
Synthesis of perovskite polyhedron nanocrystals with equivalent facets and the controlled growth of Pt nanoparticles with differing surface concentration of oxidized Pt4+/Pt2+ species
Theoretical Study of 1s, 2s, and 2p Core Electron Binding Energies of Third-Period Elements Calculated by the ΔSCF Method, Koopmans’ Theorem, and Slater’s Transition State Theory within the Framework of Hartree–Fock and Kohn–Sham Theory
Direct Observation of the Transition-State Region in the Photodissociation of CH3I by Femtosecond Extreme Ultraviolet Transient Absorption Spectroscopy
X-ray Emission Spectroscopy at X-ray Free Electron Lasers: Limits to Observation of the Classical Spectroscopic Response for Electronic Structure Analysis
Active Probing of a RuO2/CZ Catalyst Surface as a Tool for Bridging the Gap Between CO Oxidation Catalytic Tests in a Model and Realistic Exhaust Gas Stream
Ultrafast Spectroscopy with an Edge ─Basic Concepts and Tabletop Applications of Femtosecond X-ray Transient Absorption Spectroscopy: A Tutorial Review
Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculations
Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches
Excited-state band mapping and momentum-resolved ultrafast population dynamics in In/Si(111) nanowires investigated with XUV-based time- and angle-resolved photoemission spectroscopy
Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction
showing the first 200 of 232
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