I show a simple approach to generating and visualising the frontier molecular orbitals (HOMO & LUMO) of 1,3-butadiene using FREE software.
Orca 5.0 & Avogadro download (need a free orca account to access the downloads section of the forum): orcaforum.kofo.mpg.de/app.php...
IboView download: www.iboview.org/index.html
#Avogadro #Orca #IboView
Негізгі бет How to generate HOMO & LUMO of a small molecule using free software (Avogadro, Orca 5.0, IboView)
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