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 )
APRIL 3, 2025 Journal Article Machine-learning-enabled on-the-fly analysis of RHEED patterns during thin film deposition by molecular beam epitaxy ( 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 Concentration Dependent Interfacial Chemistry of the NaOH(aq):Gibbsite Interface ( 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 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 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 )
JANUARY 30, 2025 Journal Article Comparison of machine learning and electrical resistivity arrays to inverse modeling for locating and characterizing subsurface targets ( Read More )
JANUARY 30, 2025 Journal Article Ion correlations decrease particle aggregation rate by increasing hydration forces at interfaces ( 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 )
JANUARY 7, 2025 Journal Article Tunable Localized Charge Transfer Excitons in Nanoplatelet-2D chalcogenide van der Waals Heterostructures ( Read More )
DECEMBER 24, 2024 Journal Article Crystallization and Assembly at Interfaces: Celebrating the Achievements of a Vibrant Research Community ( Read More )
DECEMBER 24, 2024 Journal Article Smaller is better: The case for lower-order iodoplumbate species dominating MAPbI3/dimethylformamide solutions ( Read More )