mirror of
https://github.com/LCPQ/QUESTDB_website.git
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49 lines
116 KiB
XML
49 lines
116 KiB
XML
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<rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom">
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<channel>
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<title>Welcome on QUEST: a database of highly-accurate excitation energies</title>
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<link>https://lcpq.github.io/QUESTDB_website/</link>
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<description>Recent content in Welcome on QUEST: a database of highly-accurate excitation energies</description>
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<generator>Hugo -- gohugo.io</generator>
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<language>en-us</language>
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<managingEditor>mveril@irsamc.ups-tlse.fr (M. Véril)</managingEditor>
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<webMaster>mveril@irsamc.ups-tlse.fr (M. Véril)</webMaster><atom:link href="https://lcpq.github.io/QUESTDB_website/index.xml" rel="self" type="application/rss+xml" />
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<item>
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<title>Dataset</title>
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<link>https://lcpq.github.io/QUESTDB_website/dataset/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/dataset/</guid>
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<description>function adjustSticky() { const height = $("nav").height() $("thead.sticky tr th ").css("top", height) } window.onload = async () = { window.browser = bowser.getParser(window.navigator.userAgent); $("input[type='checkbox']").trigger("change") $("input[type='number'].range").trigger("change") adjustSticky(); $(window).resize(adjustSticky) var slist = $("#SelectList") getAllSelect().each(function () { $("").text($('label[for="' + $(this).attr('id') + '"]').text()).appendTo(slist) }) $('[data-needbrowser],[data-neednotbrowser]').each(function () { function test(key, value) { switch (key) { case "</description>
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</item>
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<item>
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<title>References</title>
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<link>https://lcpq.github.io/QUESTDB_website/references/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/references/</guid>
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[TM]_aug-cc-pVTZ.</description>
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</item>
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<item>
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<title>Subsets</title>
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<link>https://lcpq.github.io/QUESTDB_website/subsets/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/subsets/</guid>
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<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>
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</item>
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<item>
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<title>view</title>
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<link>https://lcpq.github.io/QUESTDB_website/view/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/view/</guid>
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