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 )
APRIL 8, 2025 Journal Article Synergy in materials: Leveraging phosphosilicate waste forms for electrochemical salt waste ( Read More )
APRIL 4, 2025 Journal Article Spectroscopic Online Monitoring: Using a Multi-Track Visible Spectrometer to Facilitate a Mass Balance Study in a Simulated TALSPEAK Process ( Read More )
APRIL 3, 2025 Journal Article The many-body expansion for aqueous systems revisited: IV. Stabilization of halide-anion pairs in small water clusters ( Read More )
MARCH 28, 2025 Journal Article Polaritonic Chemistry using the Density Matrix Renormalization Group Method ( Read More )
MARCH 28, 2025 Journal Article Probing Noncovalent Interaction Strengths of Host-Guest Complexes Using Negative Ion Photoelectron Spectroscopy ( Read More )
MARCH 14, 2025 Journal Article Chemical Information From XPS: Theory and Experiment For Ni(OH)2 ( Read More )
MARCH 7, 2025 Journal Article Detecting Underscreening and Generalized Kirkwood Transitions in Aqueous Electrolytes ( Read More )
FEBRUARY 26, 2025 Journal Article Metal–Ligand Covalency in the Valence Excited States of Metal Dithiolenes Revealed by S 1s3p Resonant Inelastic X-ray Scattering ( Read More )
FEBRUARY 26, 2025 Journal Article Generation IV International Forum – Knowledge Management and Knowledge Preservation: An initiative from the Education and Training Working Group ( Read More )
FEBRUARY 26, 2025 Journal Article Process Intensification for Recovery of Uranium from Spent Fuel Using DEHiBA ( Read More )
FEBRUARY 14, 2025 Journal Article Optical Extinction-Based 3D Nano-Imaging of WS2 on Gold ( Read More )
FEBRUARY 12, 2025 Journal Article Spectral Analysis and Kinetic Modeling of Radioluminescence in Air and Nitrogen ( Read More )
FEBRUARY 11, 2025 Journal Article Non-invasive ultrasonic sensing of internal conditions on a partial full-scale spent nuclear fuel canister mock-up ( Read More )
FEBRUARY 7, 2025 Journal Article Ligand Substituent Effects on the Electronic Properties of Lindqvist-Type Polyoxometalate Multi-Level-Switches in the Gas Phase, Solution and on Surfaces ( Read More )
FEBRUARY 1, 2025 Report Technical Assessment of Off-Gas System Technologies for Potential Use in Molten Salt Reactors ( Read More )
JANUARY 29, 2025 Conference Paper Custom ORIGEN Libraries for Tritium Production in Discrete Burnable Absorbers ( Read More )
JANUARY 28, 2025 Journal Article Atomistic simulations to reveal HIP-bonding mechanisms of Al6061/Al6061 ( Read More )
JANUARY 28, 2025 Journal Article A Finite Difference Informed Random Walk Solver for Simulating Radiation Defect Evolution in Polycrystalline Structures with Strongly Inhomogeneous Diffusivity ( Read More )
JANUARY 15, 2025 Journal Article WFOT: a Wave Function Overlap Tool Between Single- and Multi-Reference Electronic Structure Methods for spectroscopy Simulation ( Read More )