APRIL 1, 2023 Journal Article Low-temperature upcycling of polyolefins into liquid alkanes via tandem cracking-alkylation ( Read More )
APRIL 1, 2023 Journal Article Evaluation of E3SM land model snow simulations over the western United States ( Read More )
APRIL 1, 2023 Journal Article Massively Parallel Modeling and Inversion of Electrical Resistivity Tomography data using PFLOTRAN ( Read More )
APRIL 1, 2023 Journal Article Topological Relationship-Based Flow Direction Modeling: Mesh-Independent River Networks Representation ( Read More )
APRIL 1, 2023 Journal Article High Spatial Resolution Ambient Tip-Enhanced (Multipolar) Raman Scattering ( 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 Solution structure and hydration forces between mica and hydrophilic versus hydrophobic surfaces ( 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 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 tell: A Python package to model future total electricity loads ( 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 )
FEBRUARY 17, 2023 Journal Article Accurate Modeling of Bromide and Iodide Hydration with Data-Driven Many-Body Potentials ( Read More )
FEBRUARY 17, 2023 Journal Article Ambient Tip-Enhanced Two Photon Photoluminescence from CdSe/ZnS Quantum Dots ( 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 )