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Our latest paper has just appeared in the Journal of Physical Chemistry A.  If you don't have access to this journal you can find a free version of an earlier draft here. It's ultimately related to making better drugs so first some background.BackgroundDesigning...
Art Winter tweeted this paper by Morten Jrgensen and co-workers last year and I decided to see if semi-empirical methods could help here.  The paper uses Chemdraws chemical shift predictor to predict where a bromine atom will be added to a heteroaromatic...
I have been remiss in posting reviews of my papers. I submitted the paper to Journal of Physical Chemistry A on November 2, 2016, received first round of reviews November 29, and second round of reviews December 12.  The paper was accepted January 5, 2017...