Author

Stefan M. Huber

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Open access Sep 2026

On-Surface Friedel-Crafts Alkylation Through a Stabilized Intermediate Complex.

The incorporation of sp 3 -hybridized carbon centers into planar sp 2 carbon nanostructures is a powerful strategy in solution chemistry for tuning their electronic and structural properties. While on-surface synthesis has demonstrated efficient coupling strategies for sp 2 systems, C s p 3 ─ C s p 2 bond formation on...

Paul Schweer, C. Vonnemann, Nishanth Arumugam et al. · Angewandte Chemie · 0 citations

Open access Sep 2026

Using energy decomposition analysis from correlated wavefunction theory to characterize a range of hydrogen, halogen, and tetrel bonds: the relative importance of electrostatics, charge-transfer and polarization.

Second-order Møller-Plesset theory (MP2) is the simplest wavefunction-based treatment of electron correlation and is a good compromise between accuracy and efficiency for evaluating the strength of many non-covalent intermolecular interactions. It has also been improved in accuracy and robustness by regularized methods...

Heng-Yuan Shen, Zhen-Ling Wang, Kevin Ikeda et al. · Physical Chemistry, Chemical... · 0 citations