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
Pages
5
From page
57
To page
61
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
Serial Year
2014
Record number
2440197
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