APRIL 1, 2023 Journal Article Low-temperature upcycling of polyolefins into liquid alkanes via tandem cracking-alkylation ( 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 )
MARCH 1, 2023 Report A 100+ RON Gasoline Blendstock for High Efficiency, Low Emission Vehicles Engines - CRADA 493 (Final Report) ( Read More )
FEBRUARY 24, 2023 Journal Article High-Throughput Experimentation, Theoretical Modeling, and Human Intuition: Lessons Learned in Metal-Organic Framework-Supported Catalyst Design ( Read More )
FEBRUARY 24, 2023 Journal Article A critical comparison of CH-p versus p-p interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods ( Read More )
FEBRUARY 24, 2023 Journal Article Solution structure and hydration forces between mica and hydrophilic versus hydrophobic surfaces ( Read More )
FEBRUARY 22, 2023 Journal Article Plutonium Hybrid Materials: A Platform to Explore Assembly and Metal-Ligand Bonding ( Read More )
FEBRUARY 22, 2023 Journal Article Time-Evolving Chirality Loss in Molecular Photodissociation Monitored by X-ray Circular Dichroism Spectroscopy ( 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 Ambient Tip-Enhanced Two Photon Photoluminescence from CdSe/ZnS Quantum Dots ( 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 )
FEBRUARY 17, 2023 Journal Article Accurate Modeling of Bromide and Iodide Hydration with Data-Driven Many-Body Potentials ( Read More )
FEBRUARY 16, 2023 Journal Article A formulation of the Many-Body Expansion (MBE) for periodic systems: Application to several ice phases ( Read More )
FEBRUARY 16, 2023 Journal Article Engineering catalyst supports to stabilize PdOx two-dimensional rafts for water-tolerant methane oxidation ( Read More )
FEBRUARY 16, 2023 Journal Article Properties of Gaseous Deprotonated L-Cysteine S-Sulfate Anion [cysS-SO3]-: Intramolecular H-Bond Network , Electron Affinity, Chemically Active Site and Vibrational Fingerprints ( Read More )
FEBRUARY 16, 2023 Journal Article Efficient Pd on carbon catalyst for ammonium formate dehydrogenation: Effect of surface oxygen functional groups ( Read More )
FEBRUARY 15, 2023 Journal Article Effects of high-temperature CeO2 calcination on the activity of Pt/CeO2 catalysts for oxidation of unburned hydrocarbon fuels ( Read More )
FEBRUARY 8, 2023 Journal Article Influence of ambient gas on self-reversal in Li transitions relevant to isotopic analysis ( Read More )