FEBRUARY 15, 2024 Journal Article A Perspective on Sustainable Computational Chemistry Software Development and Integration ( Read More )
NOVEMBER 11, 2023 Journal Article Intergranular corrosion of feedstock modified – additively manufactured stainless steel after sensitization ( Read More )
NOVEMBER 10, 2023 Journal Article Metal-organic framework supported single-site nickel catalysts for butene dimerization ( Read More )
OCTOBER 31, 2023 Report Understanding Technical and Psychosocial Barriers to Realizing FAIR Data Process ( Read More )
OCTOBER 31, 2023 Report Universal Utility Data Exchange (UUDEX): Information Exchange Models for Solar DER ( Read More )
OCTOBER 26, 2023 Journal Article A parallel, distributed memory implementation of the adaptive sampling configuration interaction method ( Read More )
OCTOBER 25, 2023 Journal Article Quantifying the impact of electric fields on the local structure and migration of potassium ions at the orthoclase (001) surface ( Read More )
OCTOBER 20, 2023 Journal Article Preface to “From coadsorption and catalysis at solid surfaces to liquid- solid interfaces in theory and experiment, Published in Honor of Professor Robert K. Grasselli, Irsee IX Symposium Kloster Irsee, Germany 16–19 June 2022 (Irsee IX)” ( Read More )
OCTOBER 18, 2023 Journal Article Machine Learning Assisted Phase and Size-Controlled Synthesis of Iron Oxide Particles ( Read More )
OCTOBER 17, 2023 Journal Article A 1D Model for Nucleation of Ice from Aerosol Particles: An Application to a Mixed-Phase Arctic Stratus Cloud Layer ( Read More )
OCTOBER 14, 2023 Journal Article Synthesis and Thermophysical Property Determination of NaCl-PuCl3 Salts ( Read More )
OCTOBER 14, 2023 Journal Article Structural relaxation of water during rapid cooling from ambient temperatures ( Read More )
OCTOBER 14, 2023 Journal Article Machine Learning Automated Analysis of Enormous Synchrotron X-Ray Diffraction Datasets ( 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 Comparison of methods to derive infrared optical constants for organic materials for optical modeling ( Read More )
OCTOBER 14, 2023 Journal Article Beyond Duality: Rationalizing Repulsive Coulomb Barriers in Host-Guest Cyclodextrin-Dodecaborate Complexes ( 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 13, 2023 Journal Article Solvent-Treated Zirconium-Based Nanoporous UiO-66 Metal-Organic Frameworks for Enhanced CO2 Capture ( Read More )