Archive for January 1st, 2021

Dispersion attraction effects on the computed geometry of a leminscular dodecaporphyrin.

Friday, January 1st, 2021

In the previous post, I showed the geometries of three large cyclic porphyrins, as part of an article[cite]10.1038/s41557-019-0398-3[/cite] on exploring the aromaticity of large 4n+2 cyclic rings. One of them had been induced into a “figure-eight” or lemniscular conformation, as shown below.

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