DFT Study of the Reaction Mechanism of N-(Carbomylcarbamothioyl) Benzamide Felix Odame
The reaction mechanism for the formation of N-(carbomylcarbamothioyl)benzamide has been successfully computed with the B3LYP/6-31g(d) functional and basis set and compared with 1H NMR monitoring of the progress of the reaction with time. The reaction is proposed to proceed through two transition sta...
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| Format: | Article |
| Language: | English |
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Slovenian Chemical Society
2018-06-01
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| Series: | Acta Chimica Slovenica |
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| Online Access: | https://journals.matheo.si/index.php/ACSi/article/view/4001 |