Assessing the accuracy and efficacy of multiscale computational methods in predicting reaction mechanisms and kinetics of SN2 reactions and Claisen rearrangement
Abstract This study investigates the application of quantum mechanical (QM) and multiscale computational methods in understanding the reaction mechanisms and kinetics of SN2 reactions involving methyl iodide with NH2OH and NH2O−, as well as the Claisen rearrangement of 8-(vinyloxy)dec-9-enoate. Our...
| 出版年: | Scientific Reports |
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| 主要な著者: | , , , |
| フォーマット: | 論文 |
| 言語: | 英語 |
| 出版事項: |
Nature Portfolio
2024-07-01
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| 主題: | |
| オンライン･アクセス: | https://doi.org/10.1038/s41598-024-67468-x |