| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1233037 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 12 Pages |
Abstract
⺠Molecular electrostatic potential (MEP), non-linear properties and NMR analyses were performed at DFT level of theory. ⺠Changes of thermodynamic properties have been obtained in the range of 100-1000 K. ⺠Conformational analysis has been done by PES scan.
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Authors
M. Arivazhagan, R. Meenakshi,