| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1409680 | Journal of Molecular Structure | 2012 | 15 Pages |
Abstract
⺠Conformational analysis of 2-(hydroxymethyl)pyridine (2HMP) and 3-(hydroxymethyl)pyridine (3HMP) was carried out. ⺠Temperature dependence of thermodynamic properties of 2HMP and 3HMP were determined. ⺠Complete structural and vibrational analysis were done. ⺠The reactive sites were analysed by determining the electrostatic potentials of the compounds. ⺠HOMO and LUMO energies and their electronic properties were discussed.
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Authors
V. Arjunan, P.S. Balamourougane, S. Thillai Govindaraja, S. Mohan,