macrocycles-visualisation

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dylanbmorgan / ims-plot

A NICS-based multi-dimensional method to visualise areas of aromaticity and antiaromaticity in molecules. NICS values are calculated using Gaussian. Developed as part of an MChem project at Loughborough University.

dft visualisation gaussian nmr chem nics macrocycles aromaticity macrocycles-visualisation

Updated Apr 25, 2022
Python

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