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Theoretical Investigation Of The Anti-Parkinson Drug Rasagiline And Its Salts: Conformations And Infrared Spectra
(Sciendo, 2012)
The conformational analysis of rasagiline [N-propargyl-1(R)-aminoindan] was performed by the density functional theory (DFT) B3LYP method using the 6-31++G (d,p) basis set. A single point energy calculations based on the ...