An efficient hybrid orbital representation for quantum Monte Carlo calculations... Journal August, 2018
Theoretical Prediction and Analysis of the UV/Visible Absorption and Emission Spectra of Chiral Carbon Nanorings Journal August, 2018
An experimental and computational study of donor–linker–acceptor block copolymers for organic photovoltaics Journal August, 2018
Stabilization of s-wave superconductivity through arsenic p-orbital hybridization in electron-doped BaFe2As2 Journal July, 2018
Decoding Oxyanion Aqueous Solvation Structure: A Potassium Nitrate Example at Saturation Journal July, 2018
Inducing regioselective chemical reactivity in graphene with alkali metal intercalation Journal July, 2018
Quantum chemical replica-exchange umbrella sampling molecular dynamics simulations reveal the formation mechanism of iron phthalocyanine from iron and phthalonitrile Journal July, 2018
