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mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-12-26 06:14:38 +01:00
QUESTDB_website/index.xml
2020-11-27 09:35:36 +00:00

49 lines
116 KiB
XML

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<title>Welcome on QUEST: a database of highly-accurate excitation energies</title>
<link>https://lcpq.github.io/QUESTDB_website/</link>
<description>Recent content in Welcome on QUEST: a database of highly-accurate excitation energies</description>
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<language>en-us</language>
<managingEditor>mveril@irsamc.ups-tlse.fr (M. Véril)</managingEditor>
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<item>
<title>Dataset</title>
<link>https://lcpq.github.io/QUESTDB_website/dataset/</link>
<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
<guid>https://lcpq.github.io/QUESTDB_website/dataset/</guid>
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<item>
<title>References</title>
<link>https://lcpq.github.io/QUESTDB_website/references/</link>
<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
<guid>https://lcpq.github.io/QUESTDB_website/references/</guid>
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[TM]_aug-cc-pVTZ.</description>
</item>
<item>
<title>Subsets</title>
<link>https://lcpq.github.io/QUESTDB_website/subsets/</link>
<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
<guid>https://lcpq.github.io/QUESTDB_website/subsets/</guid>
<description>The QUEST database provides theoretical best estimates (TBEs) for more than 500 highly-accurate excitation energies of various natures (valence, Rydberg, \(n \rightarrow \pi^\star\) , \(\pi \rightarrow \pi^\star\) , singlet, doublet, triplet, and double excitations) for molecules ranging from diatomics to molecules as large as naphthalene. This set is also chemically diverse, with organic and inorganic systems, open- and closed-shell compounds, acyclic and cyclic systems, pure hydrocarbons and various heteroatomic structures, etc.</description>
</item>
<item>
<title>view</title>
<link>https://lcpq.github.io/QUESTDB_website/view/</link>
<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
<guid>https://lcpq.github.io/QUESTDB_website/view/</guid>
<description>window.onload = async function () { if (typeof (navigator.clipboard) == &#39;undefined&#39; || typeof (navigator.clipboard.writeText) === &#39;undefined&#39;) { btn_clip = document.getElementById(&#34;btn_clip&#34;); btn_clip.disabled = true; var browsers = {}; browsers[&#34;Chromium&#34;] = &#34;https://chromium.woolyss.com/download&#34;; browsers[&#34;Firefox&#34;] = &#34;https://www.mozilla.org/fr/firefox&#34;; var recomsting = &#34;We recomend to use Firefox or a Chromium based browser like Google Chrome&#34;; btn_clip.title = &#39;This feature is not supported in this bowser\n&#39; + recomsting; var mystr = &#39;navigator.clipboard.writeText() not supported in this browser\n&#39; + recomsting; for (var key in browsers) { mystr += &#34;</description>
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