Jan Jensen edited section_Results_and_Discussion_subsection__.tex  over 8 years ago

Commit id: e076d7020e781837b460ce90c8e088ca93e5ec73

deletions | additions      

       

\section{Results and Discussion}  \subsection{Gas Phase}  Table \ref{tabel1} \ref{table1}  lists barrier heights and reaction energies computed using PM6, PM7 and DFTB3 single point energies computed using B3LYP/6-31G(d,p) geometries.