Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/5052
Title: Conformational study of isolated pindolol by HF, DFT and MP2 calculations
Authors: Nunes, Sandra C. C. 
Jesus, A. J. Lopes 
Rosado, Mário Túlio S. 
Eusébio, M. Ermelinda S. 
Keywords: Pindolol; Beta-blocker; Conformational analysis; Hydrogen bonding
Issue Date: 2007
Citation: Journal of Molecular Structure: THEOCHEM. 806:1-3 (2007) 231-238
Abstract: 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.
URI: http://hdl.handle.net/10316/5052
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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