| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1235809 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 4 Pages |
Abstract
⺠The structure of two chloro-2-propanols is optimized at the DFT-B3LYP, MP2 and MP4(SDQ) levels of theoryâ
⺠The vibrational wavenumbers of the alcohol were calculated at the DFT-B3LYP level of theory. ⺠Vibrational assignments were provided by combining experimental and theoretical data.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Hassan M. Badawi,