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MAY 2, 2025 Journal Article Shake Loss Intensities in X-ray Photoelectron Spectroscopy: Theory, Experiment, and Atomic Composition Accuracy for MgO and Related Compounds ( Read More )
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APRIL 26, 2025 Journal Article Anion-Cation-Anion Ion Triplet Characterization by Computation and Photoelectron Spectroscopy ( Read More )
APRIL 25, 2025 Journal Article Formation, Chemical Evolution, and Solidification of the Dense Liquid Phase of Calcium (Bi)carbonate ( Read More )
APRIL 23, 2025 Journal Article Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method ( Read More )
APRIL 23, 2025 Journal Article Exploring Direct Photodetachment and Photodissociation- Photodetachment Dynamics of Platinum Iodide Anions (PtIn¯, n=2-5) Using Cryogenic Photoelectron Spectroscopy ( Read More )
APRIL 18, 2025 Journal Article Theoretical prediction of materials with diffuse electrons with possible applications in redox catalysis and quantum computing ( Read More )
APRIL 10, 2025 Journal Article Elucidation of a Metastable p(2×1) O Atom Adlayer Structure on Cu(111) ( Read More )
APRIL 8, 2025 Journal Article Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe–2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2–,3–,4–, [Fe2S2(SCys)4]2–, [Fe2S2(S-p-tol)4]2–, and [Fe2S2(S-o-xyl)4]2– Complexes ( Read More )
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MARCH 28, 2025 Journal Article Polaritonic Chemistry using the Density Matrix Renormalization Group Method ( Read More )
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