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

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==Computational Analysis of Electron Density of Phenoxyl and 4-Vinylphenoxyl===
  
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===A Computational Analysis of Electron Density of Phenoxyl and 4-Vinylphenoxyl===
 
 
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Revision as of 20:57, 15 April 2021

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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