Molecular structure and vibrational frequencies of benzoylacetone (BA) have been investigated by means of density functional theory (DFT) calculations. In addition, the geometry of the cis-and trans-enol conformers were also optimized at MP2/6-31G\*\* level of theory. The results were compared with
β¦ LIBER β¦
Molecular structure and vibrational spectra of Irinotecan: A density functional theoretical study
β Scribed by P. Chinna Babu; N. Sundaraganesan; S. Sudha; V. Aroulmoji; E. Murano
- Book ID
- 119359930
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 492 KB
- Volume
- 98
- Category
- Article
- ISSN
- 1386-1425
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