Theoretical Calculation of a Solution Phase Torsional Free Energy Profile. π-Ethylimidazole in Water

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Author(s):  
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A reliable theoretical calculation of the free energy profile of a base-catalyzed Knoevenagel reaction shows that hydroxide ion elimination step is rate determining.


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The contributing factors that cause the aggregation-induced emission (AIE) are determined by identifying characteristic differences in the free energy profiles of the AIE processes of the AIE-active E-form of CN-MBE and the inactive Z-form.


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Vol 1 (2) ◽  
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