Meta-Hybrid Density Functional Theory Prediction of the Reactivity, Stability, and IGM of Azepane, Oxepane, Thiepane, and Halogenated Cycloheptane.

Halogenated compounds are essentially significant in agricultural applications, and halogenation has been demonstrated to be an important tool for the development of efficient agricultural products. 5 Electronic structure methods are accurate in investigating the basic electronic properties of molecules, and these methods have been utilized over the years to predict molecular behavior.

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