Difference between revisions of "Acetaminophen Radicals"
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===B3YLP/6-311+G(2d,p)=== | ===B3YLP/6-311+G(2d,p)=== | ||
[[File:Pchem_APAP_WINSIM.png|400px]] [[File:WEBMO_electronDensity.png|400px]] | [[File:Pchem_APAP_WINSIM.png|400px]] [[File:WEBMO_electronDensity.png|400px]] | ||
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Revision as of 20:06, 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.
B3YLP/6-311+G(2d,p)
