Synthesis and density functional theoretical study of steroidal spiro-triazolidinone
β Scribed by Kamlesh Sharma; Bhajan Lal
- Book ID
- 116698141
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 776 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0960-0760
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
The structure and stability of small boron clusters B,, (n = 2-14) have been investigated employing density functional theory. The search for minima was performed using gradient methods at the local spin density level. Most of the final structures prefer planar or quasi-planar forms and can be consi