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The Journal of Chemical Physics|September 25, 2024
A semi-automated quantum-mechanical workflow for the generation of molecular monolayers and aggregatesJ T Kohn, S Grimme, A Hansen
The Journal of Chemical Physics|October 11, 2023
Efficient calculation of electronic coupling integrals with the dimer projection method via a density matrix tight-binding potentialJ T Kohn, N Gildemeister, S Grimme, et al.
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