Difference between revisions of "Acetaminophen Radicals"
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| − | The Ab-initio computation of acetaminophen radical. | + | The Ab-initio computation of the acetaminophen radical. The goal of this project is to elucidate where electrons are located on the molecule when a radicalization occurs. |
==Web MO/Gaussian== | ==Web MO/Gaussian== | ||
Web MO/Gaussian is a software containing various basis sets that allow for various levels of computational chemistry. | Web MO/Gaussian is a software containing various basis sets that allow for various levels of computational chemistry. | ||
===B3YLP/6-311+G(2d,p)=== | ===B3YLP/6-311+G(2d,p)=== | ||
Revision as of 19:50, 15 April 2021
The Ab-initio computation of the acetaminophen radical. The goal of this project is to elucidate where electrons are located on the molecule when a radicalization occurs.
Web MO/Gaussian
Web MO/Gaussian is a software containing various basis sets that allow for various levels of computational chemistry.