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Computational study of the 1,3-dipolar cycloaddition between methyl 2-trifluorobutynoate and substituted azides in terms of reactivity indices and activation parameters |
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| Affiliation: | 1. College of Chemistry and Molecular Science, Wuhan University;2. Centre for Drug Evaluation, China Food and Drug Administration;3. Engineering Research Center of Organosilicon Compounds & Materials, Ministry of Education, P.R. China;1. School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255000, PR China;2. Department of Chemistry and Chemical Engineering, Zunyi Normal College, Zunyi 563000, PR China |
| Abstract: | |
| Keywords: | 1 3-Dipolar cycloaddition Phenyl azide Methyl 2-trifluorobutynoate DFT-based reactivity indices Activation energy Transition states |
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