Title of article :
A Theoretical Study on Dopamine: Geometry, energies and NMR
Author/Authors :
Mehdizadeh Barforushi, Maryam Department of Chemistry - Tehran Science and Research Branch - Islamic Azad University, Tehran , Zare, Karim Department of Chemistry - Tehran Science and Research Branch - Islamic Azad University, Tehran
Abstract :
The Dopamine has been studied theoretically at the B3LYP/6-31G* level were performed in gas
phase. We calculated physical parameters like atomic charges, energy (=>), asymmetry parameter
(?), chemical shift @iso, dipole moment and isotropic NMR determinant and in this work we used
Gaussian 03 at NMR and calculation by using B3LYP methods with 6-31G* basis set.
Keywords :
Dopamine , NMR , Theoretical
Journal title :
Astroparticle Physics
