this is for holding javascript data
Jan Jensen edited begin_table_centering_caption_My__.tex
over 8 years ago
Commit id: b1c69579f57acdde64a139ac2999c0ae9ae009c5
deletions | additions
diff --git a/begin_table_centering_caption_My__.tex b/begin_table_centering_caption_My__.tex
index 8b500de..c04fa6e 100644
--- a/begin_table_centering_caption_My__.tex
+++ b/begin_table_centering_caption_My__.tex
...
\begin{table}[]
\centering
\caption{My caption}
\label{tabel1} \label{table1}
\begin{tabular}{lllllllll}
. & AspDC & 4-OT-1 & 4-OT-2 & PTE-1 & PTE-2 & HKMT & HheC & MAD \\
&
\multicolumn{7}{l}{Gas \multicolumn{8}{l}{Gas Phase Barrier Heights}
& \\
GAS/B3LYP & 13.5 & 6.9 & -1.6 & 11.7 & 13.3 & 18.9 & 18.2 & \\
GAS/PM6m & 11.9 & 1.4 & -1.5 & -18.1 & -19.4 & 27.8 & 28.0 & 12.6 \\
GAS/PM7 & 5.6 & 8.1 & 5.8 & -18.4 & -27.3 & 24.0 & 31.7 & 15.1 \\
GAS/DFTB3 & -18.0 & 19.7 & 15.8 & 11.6 & 30.2 & -8.8 & 4.5 & 17.2 \\
& & & & & & & & \\
&
\multicolumn{7}{l}{Gas \multicolumn{8}{l}{Gas Phase Reaction Energies}
& \\
GAS/B3LYP &
9.00 9.0 &
-5.70 -5.7 &
-2.90 -2.9 &
11.90 11.9 &
-4.60 -4.6 &
-9.20 -9.2 &
5.50 5.5 & \\
GAS/PM6m &
1.99 2.0 &
-8.38 -8.4 &
-1.66 -1.7 &
-24.16 -24.2 &
-14.20 -14.2 &
-10.02 -10.0 &
13.57 13.6 & 9.4 \\
GAS/PM7 &
-2.34 -2.3 &
-2.28 -2.3 &
2.67 2.7 &
-30.08 -30.1 &
-26.49 -26.5 &
-11.77 -11.8 &
18.75 18.8 & 14.3 \\
GAS/DFTB3 &
-27.66 -27.7 &
20.40 20.4 &
3.07 3.1 &
10.57 10.6 &
28.89 28.9 &
-16.91 -16.9 &
-2.28 -2.3 & 17.0 \\
& & & & & & & & \\
&
\multicolumn{7}{l}{Solution \multicolumn{8}{l}{Solution Phase Barrier Heights}
& \\
PCM/B3LYP & 13.3 & 6.7 & -0.8 & 10.5 & 11.1 & 19.1 & 17.0 & \\
COSMO/PM6 & 14.9 & 0.2 & -1.3 & -18.8 & -21.3 & 27.7 & 25.1 & 12.4 \\
COSMO/PM7 & 8.1 & 6.7 & 6.0 & -20.0 & -32.2 & 24.2 & 29.3 & 14.7 \\
& & & & & & & & \\
&
\multicolumn{7}{l}{Solution \multicolumn{8}{l}{Solution Phase Reaction Energies}
& \\
PCM/B3LYP &
10.00 10.0 &
-5.40 -5.4 &
-2.60 -2.6 &
8.90 8.9 &
-15.30 -15.3 &
-12.40 -12.4 &
4.20 4.2 & \\
COSMO/PM6 &
6.04 6.0 &
-9.55 -9.6 &
-2.00 -2.0 &
-27.03 -27.0 &
-26.32 -26.3 &
-12.61 -12.6 &
10.32 10.3 & 8.9 \\
COSMO/PM7 &
1.19 1.2 &
-3.26 -3.3 &
2.23 2.2 &
-34.93 -34.9 &
-40.68 -40.7 &
-13.74 -13.7 &
15.99 16.0 & 14.0
\end{tabular}
\end{table}