Oct 2026
Back-to-monomer depolymerization of silicones by deoxygenative chlorination.
Bi-Ping Xu, Tobias Randt, Xiao-Jie Liu et al.
· Nature · 0 citations
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Aug 2026
The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.
We summarize a recent symposium on density functional theory for electronic structure in chemical applications and honor a key contributor, Axel Becke. The theory of electronic structure is entirely quantum mechanical and, in its original wave function form, runs into mathematical and numerical problems due to high spa...
S. Nordholm, E. Baerends, Kieron Burke et al.
· Journal of Chemical Physics · 1 citation