化学
催化作用
电场
领域(数学)
计算化学
有机化学
量子力学
物理
数学
纯数学
作者
Sohang Kundu,Timothy C. Berkelbach
摘要
The application of an external, oriented electric field has emerged as an attractive technique for manipulating chemical reactions. Because most applications occur in solution, a theory of electric field catalysis requires treatment of the solvent, whose interaction with both the external field and the reacting species modifies the reaction energetics and thus the reaction rate. Here, we formulate such a transition state theory using a dielectric continuum model, and we incorporate dynamical effects due to solvent motion via Grote-Hynes corrections. We apply our theory to the Menshutkin reaction between CH
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