Outputs (103)

Capturing the electron–electron cusp with the coupling-constant averaged exchange–correlation hole: A case study for Hooke’s atoms (2024)
Journal Article
Hou, L., Irons, T. J. P., Wang, Y., Furness, J. W., Wibowo-Teale, A. M., & Sun, J. (2024). Capturing the electron–electron cusp with the coupling-constant averaged exchange–correlation hole: A case study for Hooke’s atoms. Journal of Chemical Physics, 160(1), Article 014103. https://doi.org/10.1063/5.0173370

In density-functional theory, the exchange–correlation (XC) energy can be defined exactly through the coupling-constant (λ) averaged XC hole n¯xc(r, r′), representing the probability depletion of finding an electron at r′ due to an electron at r. Acc... Read More about Capturing the electron–electron cusp with the coupling-constant averaged exchange–correlation hole: A case study for Hooke’s atoms.

Applications of Quantum Chemistry in Biomimetic Syntheses of Polycyclic Furanocembrane Derivatives (2024)
Journal Article
Wang, D., Zhou, T., Ren, J., Hirst, J., Gao, Z., & Tang, B. (2024). Applications of Quantum Chemistry in Biomimetic Syntheses of Polycyclic Furanocembrane Derivatives. SYNLETT, https://doi.org/10.1055/a-2239-6577

This paper summarizes the guidance provided by quantum chemical calculations to the biomimetic syntheses of polycyclic marine furanocembrane derivatives. Polycyclic furanocembrane derivatives are a group of structurally complex and biologically impor... Read More about Applications of Quantum Chemistry in Biomimetic Syntheses of Polycyclic Furanocembrane Derivatives.

Glycerol-based sustainably sourced resin for volumetric printing (2024)
Journal Article
Krumins, E., Lentz, J. C., Sutcliffe, B., Sohaib, A., Jacob, P. L., Brugnoli, B., Cuzzucoli Crucitti, V., Cavanagh, R., Owen, R., Moloney, C., Ruiz-Cantu, L., Francolini, I., Howdle, S. M., Shusteff, M., Rose, F. R. A. J., Wildman, R. D., He, Y., & Taresco, V. (2024). Glycerol-based sustainably sourced resin for volumetric printing. Green Chemistry, 26(3), 1345-1355. https://doi.org/10.1039/d3gc03607c

Volumetric Additive Manufacturing (VAM) represents a revolutionary advancement in the field of Additive Manufacturing, as it allows for the creation of objects in a single, cohesive process, rather than in a layer-by-layer approach. This innovative t... Read More about Glycerol-based sustainably sourced resin for volumetric printing.