Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: Experimental and computational studies
Crystalline Ni3C as both carbon source and catalyst for graphene nucleation: A QM/MD study
Exploration of Quenching Pathways of Multiluminescent Acenes Using the GRRM Method with the SF-TDDFT Method.
The multiple bonding in heavier group 14 element alkene analogues is stabilized mainly by dispersion force effects
Time-dependent density-functional tight-binding method with the third-order expansion of electron density.