International Journal of Advanced Research and Development

International Journal of Advanced Research and Development


International Journal of Advanced Research and Development
International Journal of Advanced Research and Development
Vol. 3, Issue 1 (2018)

Theoretical study of water reaction in the N-Hydroxy-Methylen-Formamide


Anoop Kumar

The present work deals with the study of proton transfer in the isolated, mono and dehydrated forms, isolated dimers of N-Hydroxy Methylen Formamide (NHMF). The Density Functional The-ory (DFT), Möller-Plesset perturbation (MP2) and Hartree- Fock (HF) methods with the 6-31G* and 6-311G* basis sets also have been discussed in the paper. The barrier heights for both H2O-assisted and auto-assistance reactions are significantly lower than that of the bare tautomerization reaction from NHMF to N-Formyl Formamide (NFF).
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How to cite this article:
Anoop Kumar. Theoretical study of water reaction in the N-Hydroxy-Methylen-Formamide. International Journal of Advanced Research and Development, Volume 3, Issue 1, 2018, Pages 882-885
International Journal of Advanced Research and Development International Journal of Advanced Research and Development