Abstract
Computational organic chemistry is a powerful approach to understand experimental results, and its documented success in solving organic chemistry problems makes it a valuable tool for chemists. Computations open up the opportunity to ask questions and tackle problems that are otherwise difficult to address experimentally, and are an increasingly common practice in organic chemistry research. This article provides an overview of basic concepts used in computational organic chemistry and highlights representative examples of how it is applied to explain and to predict structure and reactivity in organic systems.
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