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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{| class="wikitable"|center|
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===Calculations====
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{| border=1
 
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! Structure !! Energy in Hartree !! Run Time
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| Structure || Energy in Hartree || Run Time
 
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| Phenoxyl || -306.921557301 || 10:53
 
| Phenoxyl || -306.921557301 || 10:53

Revision as of 20:51, 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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