diff --git a/content/subsets.md b/content/subsets.md index ba6f9e81..3101a2a2 100644 --- a/content/subsets.md +++ b/content/subsets.md @@ -8,9 +8,9 @@ The QUEST database provides theoretical best estimates (TBEs) for more than 470 The molecules included in the QUEST dataset have been systematically optimized at the CC3/aug-cc-pVTZ level of theory, except for a very few cases. The QUEST dataset of vertical excitations is composed by 5 subsets: -{{< figure src="/img/subsets.pdf" title="Composition of each of the five subsets making up the present QUEST dataset of highly-accurate vertical excitation energies" >}} +{{< figure src="/img/subsets.png" title="Composition of each of the five subsets making up the present QUEST dataset of highly-accurate vertical excitation energies" >}} -{{< figure src="/img/molecules.pdf" title="Molecules each of the five subsets making up the present QUEST dataset of highly-accurate vertical excitation energies: QUEST#1 (red), QUEST#2 (magenta and/or underlined), QUEST#3 (black), QUEST#4 (green), and QUEST#5 (blue)." >}} +{{< figure src="/img/molecules.png" title="Molecules each of the five subsets making up the present QUEST dataset of highly-accurate vertical excitation energies: QUEST#1 (red), QUEST#2 (magenta and/or underlined), QUEST#3 (black), QUEST#4 (green), and QUEST#5 (blue)." >}} ### [QUEST#1](https://doi.org/10.1021/acs.jctc.8b00406) The QUEST#1 benchmark set consists of 110 vertical excitation energies (as well as oscillator strengths) from 18 molecules with sizes ranging from one to three non-hydrogen atoms (water, hydrogen sulfide, ammonia, hydrogen chloride, dinitrogen, carbon monoxide, acetylene, ethylene, formaldehyde, methanimine, thioformaldehyde, acetaldehyde, cyclopropene, diazomethane, formamide, ketene, nitrosomethane, and the smallest diff --git a/static/img/molecules.pdf b/static/img/molecules.pdf deleted file mode 100644 index f5be1ae9..00000000 Binary files a/static/img/molecules.pdf and /dev/null differ diff --git a/static/img/molecules.png b/static/img/molecules.png new file mode 100644 index 00000000..5e26ebca Binary files /dev/null and b/static/img/molecules.png differ diff --git a/static/img/subsets.pdf b/static/img/subsets.pdf deleted file mode 100644 index 77a7ff46..00000000 Binary files a/static/img/subsets.pdf and /dev/null differ diff --git a/static/img/subsets.png b/static/img/subsets.png new file mode 100644 index 00000000..698dbb84 Binary files /dev/null and b/static/img/subsets.png differ