Difference between revisions of "Electron Density of Phenoxyl and 4-Vinylphenoxyl"

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[[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====
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====Calculations====
 
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Revision as of 20:53, 15 April 2021

A Computational Analysis of Electron Density of Phenoxyl and 4-Vinylphenoxyl

Phenoxyl
4-Vinylphenoxyl
Radical Frontier Density Diagram of Phenoxyl
Radical Frontier Density Diagram of 4-Vinylphenoxyl
Simulated ESR Spectrum of Phenoxyl
Simulated ESR Spectrum of 4-Vinylphenoxyl

Calculations

Structure Energy in Hartree Run Time
Phenoxyl -306.921557301 10:53
4-Vinylphenoxyl -384.34962674 33:31
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