Last Updated: 09/26/2026
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Found 80 publications
Amplification of Lanthanide f-Orbital Differences by Redox Noninnocent Semiquinone Binding.
Journal: Inorganic chemistry
Published: June 11, 2026
Structural and Electronic Properties of Anionic (ThO2)n- (n = 2-4) Clusters.
Journal: Inorganic chemistry
Published: March 03, 2025
MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections.
Journal: Journal of chemical theory and computation
Published: January 29, 2025
Unlocking Novel δ and φ Bonding Modes in Actinides via Oxidation State Control.
Journal: JACS Au
Published: December 30, 2024
On the Importance of Configuration Search to the Predictivity of Lanthanide Selectivity.
Journal: JACS Au
Published: August 22, 2024
Advancing Rare-Earth (4f) and Actinide (5f) Separation through Machine Learning and Automated High-Throughput Experiments.
Journal: ACS sustainable chemistry & engineering
Published: July 26, 2024
Efficient Parameterization of Density Functional Tight-Binding for 5f-Elements: A Th-O Case Study.
Journal: Journal of chemical theory and computation
Published: July 11, 2024
Acceleration of Solvation Free Energy Calculation via Thermodynamic Integration Coupled with Gaussian Process Regression and Improved Gelman-Rubin Convergence Diagnostics.
Journal: Journal of chemical theory and computation
Published: March 12, 2024
Advances in heavy alkaline earth chemistry provide insight into complexation of weakly polarizing Ra2+, Ba2+, and Sr2+ cations.
Journal: Science advances
Published: January 05, 2024
Unveiling Hidden Shake-Up Features in the Uranyl M4-Edge Spectrum.
Journal: JACS Au
Published: December 28, 2023
Insights into the Mechanism of Neptunium Oxidation to the Heptavalent State.
Journal: Chemistry (Weinheim an der Bergstrasse, Germany)
Published: December 05, 2023
Last Updated: 09/26/2026