Results (Gaussian16 outputs) from optimizations of stationary points along reactions 1-5. Folder n19 contains calculations for a cyanide addition onto a 19-mer chain. All folders contain results from B3LYP and PBE calculations. 

Reactions_1-5:
TS
oligomers
product-complexes
reactant-complexes
readme.txt

n19:
19-TS
19-mer
19-pc
19-rc
20-mer
readme.txt
