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Understanding Organic Chemistry Through Computation (Boaz and Pearce)

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    This online textbook works to clarify challenging concepts in introductory organic chemistry by applying tools from computational chemistry to validate fundamental principles. Utilizing open-access computational resources, students are guided through a set of exercises where core concepts of organic reactivity are explored and visualized. Early exercises focus on concepts in bonding and molecular orbital theory while introducing students to DFT calculations. Later exercises focus on the energetics and selectivity of organic reactions while introducing students to concepts such as solvation and transition states. Throughout this work exercises are shown with step-by-step illustrated instructions and are designed to be completed using a standard desktop computer

    Thumbnail: \(π\) molecular orbitals of butadiene. (Public Domain; Ben Mills via Wikipedia)

    This page titled Understanding Organic Chemistry Through Computation (Boaz and Pearce) is shared under a CC BY-NC-SA 4.0 license and was authored, remixed, and/or curated by Nicholas Boaz and Orion Pearce.