Chemical reactivity of quinmerac herbicide through the fukui function
In the present work we have calculated DFT reactivity descriptors for quinmerac (7-chloro-3-methylquinoline-8-carboxylic acid) at the MP2/6-311++G(d,p)//B3LYP/6-311++G(2d,2p) level of theory to analyze its reactivity. Reactivity descriptors such as ionization energy, molecular hardness, electrophil...
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| Автор: | |
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| Формат: | Artigo |
| Мова: | Inglês |
| Опубліковано: |
Slovenian Chemical Society
2014-12-01
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| Серія: | Acta Chimica Slovenica |
| Предмети: | |
| Онлайн доступ: | https://acsi-journal.eu/index.php/ACSi/article/view/1257 |
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