Conformational study of isolated pindolol by HF , DFT and MP 2 calculations

@inproceedings{Nunes2007ConformationalSO,
  title={Conformational study of isolated pindolol by HF , DFT and MP 2 calculations},
  author={Sandra C. C. Nunes and Ant{\'o}nio J Lopes Jesus and M{\'a}rio T{\'u}lio S. Rosado and M. Ermelinda S. Eus{\'e}bio},
  year={2007}
}
In the present work a conformational analysis of pindolol, a beta-blocker, is performed using several computational methods, including HF, DFT (B3LYP) and MP2. The relative electronic energies as well as the relevant dihedral angles of the significant conformer geometries are reported. At the HF and DFT levels the most stable conformers of pindolol are… CONTINUE READING