aromaticity

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mjirasek / Ring-Current-Model

This script generates a ring current model (RCM) for the given molecule and calculates the induced magnetic field at a specific atoms. This can be than related to the experimental NMR data to deduce ring current susceptibility in units of nA/T.

nmr biot-savart aromaticity

Updated Oct 14, 2022
MATLAB

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aromaticity

Here is 1 public repository matching this topic...

mjirasek / Ring-Current-Model

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