25 February 2021 3 2K Report

Hi, I am a third year chemistry undergrad doing my group project in which I need to predict the HPLC retention time of 20 aromatic molecules. to do this we require the chemical properties of these molecules. among the chemical properties we need is the dipole moment. Initially, I wanted to do this using MATLAB as this would have been a good way to relate back to the chemistry course. However, this task resulted being harder than I expected as my MATLAB Knowledge isn't good enough. I then saw that there is a ChemAxon calculation plugin that lets you calculate the dipole moment. but when I checked ChemAxon, the university doesn't seem to have access to it. I need to be able to rapidly determine the dipole moment of a molecule based on its structure and composition; I am ideally looking for a program which could determine the dipole moment from a ChemDraw or PDB file.

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