Electronic Supplementary Information (13 files)
for this article contains the results of the calculations for the hydrazines
and the a-acylenaminketones studied, as follows:
-Optimization output for hydrazine monohydrate (Psup37-1.txt)
-Charge calculation output for hydrazine monohydrate (Psup37-2.txt)
-Optimization output for hydrazine dihydrate (Psup37-3.txt)
-Charge calculation output for hydrazine dihydrate (Psup37-4.txt)
-Optimization output for methylhydrazine (Psup37-5.txt)
-Charge calculation output for methylhydrazine (Psup37-6.txt)
-Optimization output for phenylhydrazine (Psup37-7.txt)
-Charge calculation output for phenylhydrazine (Psup37-8.txt)
-Optimization output for 4-nitrophenylhydrazine (Psup37-9.txt)
-Charge calculation output for 4-nitrophenylhydrazine (Psup37-10.txt)
-Calculations for enaminone K1 (Psup37-11.txt)
-Calculations for enaminone K2 (Psup37-12.txt)
-Calculations for enaminone K3 (Psup37-13.txt)