Apart from chemistry, I’m a keen programmer. Some of my more useful things are listed down here.
An online tool for simulating and visualizing first order J-couplings in 1H NMR spectrums. Very handy when teaching first order coupling to students.
Converting between enantiomeric excess, enantiomeric ratio and ΔΔG‡ has never been this easy!
Command line tool for parsing orbital energies from orca output files.
Command line tool for parsing multi-xyz files produced by crest.