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Computational and Theoretical Chemistry in Structure-Reactivity Studies of Organophosphorus Compounds |
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| Authors: | Chengye Yuan Shusen Li Shengang Yuan |
| Abstract: | Computational multivariation analysis, molecular orbital calculation as well as molecular mechanics study were used for the qualitative and quantitative evaluation of the relationship between chemical structure and reactivity of organophosphorus compounds. |
| Keywords: | computational chemistry molecular orbital calculation molecular mechanics organophosphorus compounds |