<b>Ab initio study, investigation of NMR shielding tensors, NBO and vibrational frequency of catechol thioethers</b>
The electrochemical oxidation of dopamine and 3,4-dihydroxymethamphetamine (HHMA) has been studied in the presence of GSH and cysteine as a nucleophile. In order to determine the optimized geometries, energies, dipole moments, atomic charges, thermochemical analysis and other properties, we performe...
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| Format: | Article |
| Language: | English |
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Chemical Society of Ethiopia
2010-08-01
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| Series: | Bulletin of the Chemical Society of Ethiopia |
| Subjects: | |
| Online Access: | http://ajol.info/index.php/bcse/article/view/54751 |