Difference between revisions of "Electron Density of Phenoxyl and 4-Vinylphenoxyl"
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[[File:molecule1esr.png|450px|thumb|left|Simulated ESR Spectrum of Phenoxyl]] | [[File:molecule1esr.png|450px|thumb|left|Simulated ESR Spectrum of Phenoxyl]] | ||
[[File:Molecule2esr.png|450px|thumb|right|Simulated ESR Spectrum of 4-Vinylphenoxyl]] | [[File:Molecule2esr.png|450px|thumb|right|Simulated ESR Spectrum of 4-Vinylphenoxyl]] | ||
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====Calculations==== | ====Calculations==== | ||
Revision as of 20:53, 15 April 2021
A Computational Analysis of Electron Density of Phenoxyl and 4-Vinylphenoxyl
Calculations
| Structure | Energy in Hartree | Run Time |
| Phenoxyl | -306.921557301 | 10:53 |
| 4-Vinylphenoxyl | -384.34962674 | 33:31 |