SEPTEMBER 21, 2022 Journal Article Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer ( Read More )
SEPTEMBER 21, 2022 Journal Article Understanding Metal-Organic Framework Nucleation from a Solution with Evolving Graphs ( Read More )
SEPTEMBER 21, 2022 Journal Article Highly Stable and Tunable Peptoid/Hemin Enzymatic Mimetics with Natural Peroxidase-Like Activities ( Read More )
SEPTEMBER 21, 2022 Journal Article Weakening the N-H Bonds of NH3 Ligands: Triple Hydrogen-Atom Abstraction to form a Chromium(V) Nitride ( Read More )
SEPTEMBER 21, 2022 Journal Article Solvent-Induced Selectivity of Isoprene from Bio-Derived Prenol ( Read More )
SEPTEMBER 21, 2022 Journal Article Computational Approaches for XANES, VtC-XES, and RIXS using Linear-Response Time-Dependent Density Functional Theory Based Methods ( Read More )
SEPTEMBER 21, 2022 Journal Article Isolation of a Cu-H Monomer Enabled by Remote Steric Substitution of a N-Heterocyclic Carbene Ligand: Stoichiometric Insertion and Catalytic Hydroboration of Internal Alkenes ( Read More )
MAY 24, 2022 Journal Article Guanosine Dianions Hydrated by One to Four Water Molecules ( Read More )
MAY 10, 2022 Journal Article Advanced theory and simulation to guide the development of CO2 capture solvents ( Read More )
APRIL 16, 2022 Journal Article Disordered, Sub-Nanometer Ru Structures on CeO2 are Highly Efficient and Selective Catalysts in Polymer Upcycling by Hydrogenolysis ( Read More )
APRIL 13, 2022 Journal Article Regioselectivity mechanism of the Thunbergia alata Delta(6)-16:0-acyl carrier protein desaturase ( Read More )
APRIL 13, 2022 Journal Article Particle-based hematite crystallization is invariant to initial particle morphology ( Read More )
APRIL 9, 2022 Journal Article Isotope effects on the structural transformation and relaxation of deeply supercooled water ( Read More )
APRIL 1, 2022 Journal Article Influence of intracrystalline ionic strength in MFI zeolites on aqueous phase dehydration of methylcyclohexanols ( Read More )
APRIL 1, 2022 Journal Article Electron and hole mobilities in bulk hematite from spin-constrained density functional theory ( Read More )
MARCH 26, 2022 Journal Article Explaining the Structure Sensitivity of Pt and Rh for Aqueous-Phase Hydrogenation of Phenol ( Read More )
MARCH 16, 2022 Journal Article Deactivation by Potassium Accumulation on a Pt/TiO2 Bifunctional Catalyst for Biomass Catalytic Fast Pyrolysis ( Read More )
MARCH 16, 2022 Journal Article Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ( Read More )
MARCH 9, 2022 Journal Article Equatorial Electronic Structure in the Uranyl Ion: Cs2UO2Cl4 and Cs2UO2Br4 ( Read More )