I have performed a molecular dynamics simulation on C20 with initial temperature of 1000K and 0.3ps total time duration. And then using the final structure of above simulation to perform simulated annealing. Then, I got some almost unseeable points showing on Jmol. Is it a prove that combustion is irreversable process? As I heat up the carbon first which breaks the covalent bonds and then I cool it down which bonds are not re-forming?

I have performed a molecular dynamics simulation on C20 with initial temperature of 1000K and 0.3ps total time duration. And then using the final structure of above simulation to perform simulated annealing. Then, I got some almost unseeable points showing on Jmol. Is it a prove that combustion is irreversable process? As I heat up the carbon first which breaks the covalent bonds and then I cool it down which bonds are not re-forming?

Organic Chemistry

8th Edition

ISBN:9781305580350

Author:William H. Brown, Brent L. Iverson, Eric Anslyn, Christopher S. Foote

Publisher:William H. Brown, Brent L. Iverson, Eric Anslyn, Christopher S. Foote

Chapter20: Dienes, Conjugated Systems, And Pericyclic Reactions

Section20.3: Uv-visible Spectroscopy

Problem 20.5P

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