diff --git a/Manuscript/QUEST_WIREs.tex b/Manuscript/QUEST_WIREs.tex index 414ca5e..c85336e 100644 --- a/Manuscript/QUEST_WIREs.tex +++ b/Manuscript/QUEST_WIREs.tex @@ -548,12 +548,12 @@ Pyrazine & $^1B_{3u}(n \ra \pis)$ & 4.28 & 4.28 & 4.259(91) \\ & $^3B_{3u}(n \ra \pis)$ & 3.68 & 3.68 & 3.697(30) \\ Tetrazine & $^1B_{3u}(n \ra \pis)$ & 2.53 & 2.54 & 2.563(50) \\ & $^3B_{3u}(n \ra \pis)$ & 1.87 & 1.88 & 1.914(32) \\ -Pyridazine & $^1B_1(n \ra \pis)$ & 3.95 & 3.95 & \\ - & $^3B_1(n \ra \pis)$ & 3.27 & 3.26 & \\ +Pyridazine & $^1B_1(n \ra \pis)$ & 3.95 & 3.95 & 3.969(97) \\ + & $^3B_1(n \ra \pis)$ & 3.27 & 3.26 & 3.265(146) \\ Pyridine & $^1B_1(n \ra \pis)$ & 5.12 & 5.10 & 5.153(118) \\ - & $^3A_1(\pi \ra \pis)$ & 4.33 & 4.31 & 4.263(278) \\ -Pyrimidine & $^1B_1(n \ra \pis)$ & 4.58 & 4.57 & \\ - & $^3B_1(n \ra \pis)$ & 4.20 & 4.20 & \\ + & $^3A_1(\pi \ra \pis)$ & 4.33 & 4.31 & 4.419(85) \\ +Pyrimidine & $^1B_1(n \ra \pis)$ & 4.58 & 4.57 & 4.639(106) \\ + & $^3B_1(n \ra \pis)$ & 4.20 & 4.20 & 4.553(374) \\ Triazine & $^1A_1''(n \ra \pis)$ & 4.85 & 4.84 & 4.769(132) \\ & $^3A_2''(n \ra \pis)$ & 4.40 & 4.40 & 4.448(389) \\ %\hiderowcolors @@ -677,6 +677,6 @@ He is the author of more than 500 scientific papers. He has been ERC grantee (20 \newpage -\graphicalabstract{fig1/fig1}{Composition of each of the five subsets making up the present QUEST dataset of highly-accurate vertical excitation energies.} +\graphicalabstract{TOC}{QUEST: a dataset of highly-accurate excitation energies.} \end{document} diff --git a/Manuscript/TOC.png b/Manuscript/TOC.png new file mode 100644 index 0000000..8e1ebec Binary files /dev/null and b/Manuscript/TOC.png differ