JUNE 23, 2023 Report First-Principles Study of Tritium Trapping by Point Defects in Fe-Al Aluminide Coating Phases ( 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 )
JUNE 11, 2023 Journal Article Insufficient Reporting of X-ray Photoelectron Spectroscopy Instrumental and Peak Fitting Parameters (Metadata) in the Scientific Literature ( Read More )
JUNE 7, 2023 Report The role of defects and solid/liquid interfacial interactions on controlling anisotropic growth of novel two-dimensional materials ( 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 Disordered interfaces of alkaline aluminate salt hydrates provide glimpses of Al3+ coordination changes ( 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 4, 2023 Journal Article Effects of Y-Irradiation, Cation Size and Salt Concentration on the Aggregation of Boehmite Nanoplatelets ( Read More )
APRIL 1, 2023 Journal Article Final Result of the Majorana Demonstrator's Search for Neutrinoless Double-ß Decay in 76Ge ( 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 24, 2023 Journal Article Solution structure and hydration forces between mica and hydrophilic versus hydrophobic surfaces ( Read More )
FEBRUARY 24, 2023 Journal Article Coordination-dependent chemical reactivity of TFSI anions at a Mg metal interface ( 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 )
FEBRUARY 17, 2023 Journal Article Interplay between Facets and Defects during the Dissociative and Molecular Adsorption of Water on Metal Oxide Surfaces ( Read More )
JANUARY 20, 2023 Journal Article Fock-space Schrieffer-Wolff transformation: classically-assisted rank-reduced quantum phase estimation algorithm. ( Read More )
JANUARY 13, 2023 Journal Article Photocatalyzed Electron Exchange between Organic Chromophores and Hematite Nanoparticles and the Role of Solid-State Charge Transport ( Read More )
JANUARY 13, 2023 Journal Article Sodium Site Occupancy and Phosphate Speciation in Natrophosphate are Invariant to Changes to NaF and Na3PO4 Concentration ( Read More )
JANUARY 13, 2023 Journal Article Miniature Crack or Damage Detection on Cable Insulation and Jacket using Conformal Surface Wave Reflectometry ( Read More )
OCTOBER 29, 2022 Journal Article A Deep Learning Approach for Semantic Segmentation of Unbalanced Data in Electron Tomography of Catalytic Materials ( Read More )