JUNE 23, 2023 Journal Article Revealing core-valence interactions in solution with femtosecond X-ray pump X-ray probe spectroscopy ( Read More )
JUNE 22, 2023 Journal Article Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer ( Read More )
JUNE 11, 2023 Journal Article Isotope effects in the Zundel-Eigen Isomerization of H+(H2O)6 ( Read More )
MAY 5, 2023 Journal Article Electric Field Effects on Water and Ion Structure and Diffusion at the Orthoclase (001)–Water Interface ( Read More )
APRIL 11, 2023 Journal Article High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation ( Read More )
APRIL 8, 2023 Journal Article A Stable, Low Permeable TEMPO Catholyte for Aqueous Total Organic Redox Flow Batteries ( Read More )
MARCH 23, 2023 Journal Article Active Sampling for Neural Network Potentials: Accelerated Simulations of Shear-induced Deformation in Cu-Ni Multilayers ( Read More )
FEBRUARY 18, 2023 Journal Article An initial investigation of accuracy required for the identifcation of small molecules in complex samples using quantum chemical calculated NMR chemical shifts ( Read More )
JANUARY 31, 2023 Journal Article Hydrogen storage in liquid hydrogen carriers: recent activities and new trends ( Read More )
JANUARY 20, 2023 Journal Article Fock-space Schrieffer-Wolff transformation: classically-assisted rank-reduced quantum phase estimation algorithm. ( Read More )
NOVEMBER 10, 2022 Journal Article Teaching an Old Reagent New Tricks: Synthesis, Unusual Reactivity, and Solution Dynamics of Borohydride Grignard Compounds ( Read More )
NOVEMBER 2, 2022 Journal Article A techno-economic assessment framework for hydrogen energy storage toward multiple energy delivery pathways and grid services ( Read More )
APRIL 9, 2022 Journal Article In-Operando XRD Study of the Effects of Water Vapor on Phase Formation in LSM/YSZ SOFC Cathodes ( Read More )
FEBRUARY 27, 2022 Journal Article Analysis of intermediates and products from the dehydrogenation of Mg(BH4)2 ( Read More )