Study of the Regioselectivity and Reaction Speed of Diels-Alder Reaction Using Quantum Chemistry methods - Maple Application Center
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Study of the Regioselectivity and Reaction Speed of Diels-Alder Reaction Using Quantum Chemistry methods

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I used the Hartree Fock method to verify the determining factor of regioselectivity in the Diels-Alder reaction, and the influence of the electron-donating or electron-withdrawing groups on the dienes and dienophiles. This worksheet uses the Maple Quantum Chemistry Toolbox.

Application Details

Publish Date: March 16, 2022
Created In: Maple 2021
Language: English
This application is in the following Collection:

Quantum Chemistry Toolbox

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quantum-chemistry chemistry physics quantum-mechanics

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