OCTOBER 26, 2023 Journal Article A parallel, distributed memory implementation of the adaptive sampling configuration interaction method ( Read More )
OCTOBER 14, 2023 Journal Article Development of a Systematic and Extensible Force Field for Peptoids (STEPs) ( Read More )
OCTOBER 14, 2023 Conference Paper Using synthetic infrared spectra derived from n/k optical constants for standoff detection of chemical deposits ( Read More )
OCTOBER 14, 2023 Conference Paper Comparison of methods to derive infrared optical constants for organic materials for optical modeling ( Read More )
OCTOBER 14, 2023 Journal Article Structural relaxation of water during rapid cooling from ambient temperatures ( Read More )
OCTOBER 14, 2023 Journal Article Synthesis and Thermophysical Property Determination of NaCl-PuCl3 Salts ( Read More )
OCTOBER 14, 2023 Journal Article Beyond Duality: Rationalizing Repulsive Coulomb Barriers in Host-Guest Cyclodextrin-Dodecaborate Complexes ( Read More )
OCTOBER 13, 2023 Journal Article Uncovering the 3d and 4d Electronic Interactions in Solvated Ru Complexes with 2p3d Resonant Inelastic X-ray Scattering ( Read More )
OCTOBER 12, 2023 Journal Article Electric Field Gradients at Rubidium Sites in Rubidium Uranyl Nitrate and Quadrupole Moments in 85Rb and 87Rb ( Read More )
OCTOBER 5, 2023 Journal Article Ferricyanide photo-aquation pathway revealed by combined femtosecond Kß main line and valence-to-core x-ray emission spectroscopy ( Read More )
SEPTEMBER 28, 2023 Journal Article Solvent-dependent structural dynamics in the ultrafast photodissociation reaction of triiodide observed with Time-Resolved X-ray Solution Scattering ( Read More )
SEPTEMBER 20, 2023 Journal Article Photogeneration of Singlet Oxygen Catalyzed by Hexafluoroisopropanol for Selective Degradation of Dyes ( Read More )
SEPTEMBER 19, 2023 Journal Article Enhancing the electrode gravimetric capacity of Li1.2Mn0.4Ti0.4O2 Cathode Using Interfacial Carbon Deposition and Carbon Nanotube-Mediated Electrical Percolation ( Read More )
SEPTEMBER 14, 2023 Journal Article A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions ( Read More )
SEPTEMBER 7, 2023 Journal Article Discrete orientations of interfacial waters direct crystallization of mica-binding proteins ( Read More )
AUGUST 25, 2023 Journal Article Selective Plasmon-Induced Oxidation of 4-Aminothiophenol on Silver Nanoparticles ( Read More )
AUGUST 25, 2023 Journal Article Origin of Hydroxyl Pair Formation on Reduced Anatase TiO2(101) ( Read More )
AUGUST 1, 2023 Conference Paper Preparation and Characterization Methods of Thin Layer Samples for Standoff Detection ( Read More )