A complete scheme of tautomerism on diacetyl monoxime in the gas and solution phases. A comparative DFT study between B3LYP and M06-2X functionals

- Tautomerism of DAMO was studied using B3LYP/6-311++G(d,p) and M06-2X/6-311++G(d,p).
- Interconversion of the most stable tautomers to each other was also studied.
- Stretching frequencies of NH and OH bonds were also studied.
- NBO analysis for tautomers 1-5 has been done to obtain donor-acceptor interaction.