| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374926 | Chemical Physics | 2010 | 15 Pages |
Abstract
⺠Warfarin sodium is a pharmaceutical Anticoagulant. ⺠FT-IR and FT-Raman spectra of Warfarin Sodium in the solid phase were recorded and analyzed. ⺠The optimized geometry and vibrational wavenumbers have been computed using ab initio HF and DFT methods. ⺠The First order hyperpolarizability and HOMO, LUMO energy gap were theoretically predicted. ⺠The NBO analysis explained the intramolecular hydrogen bonding.
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Authors
Irena Kostova, M. Amalanathan, I. Hubert Joe,