mirror of
https://github.com/LCPQ/QUESTDB_website.git
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59 lines
183 KiB
XML
59 lines
183 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>Frequently Asked Questions</title>
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<link>https://lcpq.github.io/QUESTDB_website/faq/</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/faq/</guid>
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<description>How to export molecular geometries? You need to use the Export geometries button below the geometry select box in the DATASET section. This button allows to export geometries as a ZIP file containing all the selected molecular geometries in xyz format.
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How to export values of excitation energies? In the DATASET section, above each table there is an Export table button which allows to export the data of the chosen table as CSV file.</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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return files } function getFluoFilesName(){ var files=["fluo/acetylene_ADC(2)_aug-cc-pVTZ.dat","fluo/acetylene_ADC(2)_aug-cc-pVTZ_addon.dat","fluo/acetylene_ADC(2.5)_aug-cc-pVTZ.dat","fluo/acetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat","fluo/acetylene_ADC(3)_aug-cc-pVTZ.dat","fluo/acetylene_ADC(3)_aug-cc-pVTZ_addon.dat","fluo/acetylene_CC2_aug-cc-pVTZ.dat","fluo/acetylene_CC2_aug-cc-pVTZ_addon.dat","fluo/acetylene_CC3(Full)_aug-cc-pV5Z.dat","fluo/acetylene_CC3(Full)_aug-cc-pVQZ.dat","fluo/acetylene_CC3(Full)_d-aug-cc-pV5Z.dat","fluo/acetylene_CC3(Full)_d-aug-cc-pVQZ.dat","fluo/acetylene_CC3_6-31+G(d).dat","fluo/acetylene_CC3_aug-cc-pVDZ.dat","fluo/acetylene_CC3_aug-cc-pVQZ.dat","fluo/acetylene_CC3_aug-cc-pVTZ.dat","fluo/acetylene_CC3_aug-cc-pVTZ_addon.dat","fluo/acetylene_CC3_d-aug-cc-pVQZ.dat","fluo/acetylene_CCSD(T)(a)_aug-cc-pVTZ.dat","fluo/acetylene_CCSDR(3)_aug-cc-pVTZ.dat","fluo/acetylene_CCSDT-3_aug-cc-pVTZ.dat","fluo/acetylene_CCSDTQ_6-31+G(d).dat","fluo/acetylene_CCSDTQ_aug-cc-pVDZ.dat","fluo/acetylene_CCSDT_6-31+G(d).dat","fluo/acetylene_CCSDT_aug-cc-pVDZ.dat","fluo/acetylene_CCSDT_aug-cc-pVTZ.dat","fluo/acetylene_CCSD_aug-cc-pVTZ.dat","fluo/acetylene_CIS(D)_aug-cc-pVTZ.dat","fluo/acetylene_CIS(D∞)_aug-cc-pVTZ.dat","fluo/acetylene_EOM-MP2_aug-cc-pVTZ.dat","fluo/acetylene_FCI_aug-cc-pVDZ.dat","fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat","fluo/acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat","fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat","fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat","fluo/acetylene_STEOM-CCSD_aug-cc-pVTZ.dat","fluo/acetylene_TBE(Full)_CBS.dat","fluo/acetylene_TBE_aug-cc-pVTZ.dat","fluo/cyanoacetylene_ADC(2)_aug-cc-pVTZ.dat","fluo/cyanoacetylene_ADC(2)_aug-cc-pVTZ_addon.dat","fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat","fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ_addon.dat","fluo/cyanoacetylene_CC2_aug-cc-pVTZ.dat","fluo/cyanoacetylene_CC2_aug-cc-pVTZ_addon.dat","fluo/cyanoacetylene_CC3(Full)_aug-cc-pVQZ.dat","fluo/cyanoacetylene_CC3_6-31+G(d).dat","fluo/cyanoacetylene_CC3_aug-cc-pVDZ.dat","fluo/cyanoacetylene_CC3_aug-cc-pVQZ.dat","fluo/cyanoacetylene_CC3_aug-cc-pVTZ.dat","fluo/cyanoacetylene_CC3_aug-cc-pVTZ_addon.dat","fluo/cyanoacetylene_CCSD(T)(a)_aug-cc-pVTZ.dat","fluo/cyanoacetylene_CCSDR(3)_aug-cc-pVTZ.dat","fluo/cyanoacetylene_CCSDT-3_aug-cc-pVTZ.dat","fluo/cyanoacetylene_CCSDTQ_6-31+G(d).dat","fluo/cyanoacetylene_CCSDTQ_aug-cc-pVDZ.dat","fluo/cyanoacetylene_CCSDT_6-31+G(d).dat","fluo/cyanoacetylene_CCSDT_aug-cc-pVDZ.dat","fluo/cyanoacetylene_CCSDT_aug-cc-pVTZ.dat","fluo/cyanoacetylene_CCSD_aug-cc-pVTZ.dat","fluo/cyanoacetylene_CIS(D)_aug-cc-pVTZ.dat","fluo/cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat","fluo/cyanoacetylene_FCI_6-31+G(d).dat","fluo/cyanoacetylene_FCI_aug-cc-pVDZ.dat","fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat","fluo/cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat","fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat","fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat","fluo/cyanoacetylene_STEOM-CCSD_aug-cc-pVTZ.dat","fluo/cyanoacetylene_TBE(Full)_CBS.dat","fluo/cyanoacetylene_TBE_aug-cc-pVTZ.dat","fluo/cyanogen_ADC(2)_aug-cc-pVTZ.dat","fluo/cyanogen_ADC(2)_aug-cc-pVTZ_addon.dat","fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ_addon.dat","fluo/cyanogen_ADC(3)_aug-cc-pVTZ_addon.dat","fluo/cyanogen_CC2_aug-cc-pVTZ.dat","fluo/cyanogen_CC2_aug-cc-pVTZ_addon.dat","fluo/cyanogen_CC3(Full)_aug-cc-pVQZ.dat","fluo/cyanogen_CC3(Full)_d-aug-cc-pVQZ.dat","fluo/cyanogen_CC3_6-31+G(d).dat","fluo/cyanogen_CC3_aug-cc-pV5Z.dat","fluo/cyanogen_CC3_aug-cc-pVDZ.dat","fluo/cyanogen_CC3_aug-cc-pVQZ.dat","fluo/cyanogen_CC3_aug-cc-pVTZ.dat","fluo/cyanogen_CC3_aug-cc-pVTZ_addon.dat","fluo/cyanogen_CC3_d-aug-cc-pVQZ.dat","fluo/cyanogen_CCSD(T)(a)_aug-cc-pVTZ.dat","fluo/cyanogen_CCSDR(3)_aug-cc-pVTZ.dat","fluo/cyanogen_CCSDT-3_aug-cc-pVTZ.dat","fluo/cyanogen_CCSDTQ_6-31+G(d).dat","fluo/cyanogen_CCSDTQ_aug-cc-pVDZ.dat","fluo/cyanogen_CCSDT_6-31+G(d).dat","fluo/cyanogen_CCSDT_aug-cc-pVDZ.dat","fluo/cyanogen_CCSDT_aug-cc-pVTZ.dat","fluo/cyanogen_CCSD_aug-cc-pVTZ.dat","fluo/cyanogen_CIS(D)_aug-cc-pVTZ.dat","fluo/cyanogen_EOM-MP2_aug-cc-pVTZ.dat","fluo/cyanogen_FCI_6-31+G(d).dat","fluo/cyanogen_FCI_aug-cc-pVDZ.dat","fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat","fluo/cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat","fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat","fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat","fluo/cyanogen_STEOM-CCSD_aug-cc-pVTZ.dat","fluo/cyanogen_TBE(Full)_CBS.dat","fluo/cyanogen_TBE_aug-cc-pVTZ.dat","fluo/diazomethane_ADC(2)_aug-cc-pVTZ.dat","fluo/diazomethane_ADC(2)_aug-cc-pVTZ_addon.dat","fluo/diazomethane_ADC(2.5)_aug-cc-pVTZ.dat","fluo/diazomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat","fluo/diazomethane_ADC(3)_aug-cc-pVTZ.dat","fluo/diazomethane_ADC(3)_aug-cc-pVTZ_addon.dat","fluo/diazomethane_CC2_aug-cc-pVTZ.dat","fluo/diazomethane_CC2_aug-cc-pVTZ_addon.dat","fluo/diazomethane_CC3(Full)_aug-cc-pVQZ.dat","fluo/diazomethane_CC3(Full)_d-aug-cc-pVQZ.dat","fluo/diazomethane_CC3_6-31+G(d).dat","fluo/diazomethane_CC3_aug-cc-pVDZ.dat","fluo/diazomethane_CC3_aug-cc-pVQZ.dat","fluo/diazomethane_CC3_aug-cc-pVTZ.dat","fluo/diazomethane_CC3_aug-cc-pVTZ_addon.dat","fluo/diazomethane_CCSD(T)(a)_aug-cc-pVTZ.dat","fluo/diazomethane_CCSDR(3)_aug-cc-pVTZ.dat","fluo/diazomethane_CCSDT-3_aug-cc-pVTZ.dat","fluo/diazomethane_CCSDT_6-31+G(d).dat","fluo/diazomethane_CCSDT_aug-cc-pVDZ.dat","fluo/diazomethane_CCSDT_aug-cc-pVTZ.dat","fluo/diazomethane_CCSD_aug-cc-pVTZ.dat","fluo/diazomethane_CIS(D)_aug-cc-pVTZ.dat","fluo/diazomethane_CIS(D∞)_aug-cc-pVTZ.dat","fluo/diazomethane_EOM-MP2_aug-cc-pVTZ.dat","fluo/diazomethane_FCI_aug-cc-pVDZ.dat","fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat","fluo/diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat","fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat","fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat","fluo/diazomethane_STEOM-CCSD_aug-cc-pVTZ.dat","fluo/diazomethane_TBE(Full)_CBS.dat","fluo/diazomethane_TBE_aug-cc-pVTZ.dat","fluo/formaldehyde_ADC(2)_aug-cc-pVTZ.dat","fluo/formaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat","fluo/formaldehyde_ADC(2.5)_aug-cc-pVTZ.dat","fluo/formaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat","fluo/formaldehyde_ADC(3)_aug-cc-pVTZ.dat","fluo/formaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat","fluo/formaldehyde_CC2_aug-cc-pVTZ.dat","fluo/formaldehyde_CC2_aug-cc-pVTZ_addon.dat","fluo/formaldehyde_CC3(Full)_aug-cc-pV5Z.dat","fluo/formaldehyde_CC3(Full)_aug-cc-pVQZ.dat","fluo/formaldehyde_CC3(Full)_d-aug-cc-pV5Z.dat","fluo/formaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat","fluo/formaldehyde_CC3_6-31+G(d).dat","fluo/formaldehyde_CC3_aug-cc-pVDZ.dat","fluo/formaldehyde_CC3_aug-cc-pVQZ.dat","fluo/formaldehyde_CC3_aug-cc-pVTZ.dat","fluo/formaldehyde_CC3_aug-cc-pVTZ_addon.dat","fluo/formaldehyde_CC3_d-aug-cc-pVQZ.dat","fluo/formaldehyde_CCSD(T)(a)_aug-cc-pVTZ.dat","fluo/formaldehyde_CCSDR(3)_aug-cc-pVTZ.dat","fluo/formaldehyde_CCSDT-3_aug-cc-pVTZ.dat","fluo/formaldehyde_CCSDTQ_6-31+G(d).dat","fluo/formaldehyde_CCSDTQ_aug-cc-pVDZ.dat","fluo/formaldehyde_CCSDT_6-31+G(d).dat","fluo/formaldehyde_CCSDT_aug-cc-pVDZ.dat","fluo/formaldehyde_CCSDT_aug-cc-pVTZ.dat","fluo/formaldehyde_CCSD_aug-cc-pVTZ.dat","fluo/formaldehyde_CIS(D)_aug-cc-pVTZ.dat","fluo/formaldehyde_EOM-MP2_aug-cc-pVTZ.dat","fluo/formaldehyde_FCI_aug-cc-pVDZ.dat","fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat","fluo/formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat","fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat","fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat","fluo/formaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat","fluo/formaldehyde_TBE(Full)_CBS.dat","fluo/formaldehyde_TBE_aug-cc-pVTZ.dat","fluo/ketene_ADC(2)_aug-cc-pVTZ.dat","fluo/ketene_ADC(2)_aug-cc-pVTZ_addon.dat","fluo/ketene_ADC(2.5)_aug-cc-pVTZ.dat","fluo/ketene_ADC(2.5)_aug-cc-pVTZ_addon.dat","fluo/ketene_ADC(3)_aug-cc-pVTZ.dat","fluo/ketene_ADC(3)_aug-cc-pVTZ_addon.dat","fluo/ketene_CC2_aug-cc-pVTZ.dat","fluo/ketene_CC2_aug-cc-pVTZ_addon.dat","fluo/ketene_CC3(Full)_aug-cc-pVQZ.dat","fluo/ketene_CC3(Full)_d-aug-cc-pVQZ.dat","fluo/ketene_CC3_6-31+G(d).dat","fluo/ketene_CC3_aug-cc-pVDZ.dat","fluo/ketene_CC3_aug-cc-pVQZ.dat","fluo/ketene_CC3_aug-cc-pVTZ.dat","fluo/ketene_CC3_aug-cc-pVTZ_addon.dat","fluo/ketene_CCSD(T)(a)_aug-cc-pVTZ.dat","fluo/ketene_CCSDR(3)_aug-cc-pVTZ.dat","fluo/ketene_CCSDT-3_aug-cc-pVTZ.dat","fluo/ketene_CCSDT_6-31+G(d).dat","fluo/ketene_CCSDT_aug-cc-pVDZ.dat","fluo/ketene_CCSDT_aug-cc-pVTZ.dat","fluo/ketene_CCSD_aug-cc-pVTZ.dat","fluo/ketene_CIS(D)_aug-cc-pVTZ.dat","fluo/ketene_EOM-MP2_aug-cc-pVTZ.dat","fluo/ketene_FCI_aug-cc-pVDZ.dat","fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat","fluo/ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat","fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat","fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat","fluo/ketene_STEOM-CCSD_aug-cc-pVTZ.dat","fluo/ketene_TBE(Full)_CBS.dat","fluo/ketene_TBE_aug-cc-pVTZ.dat","fluo/nitrosomethane_ADC(2)_aug-cc-pVTZ.dat","fluo/nitrosomethane_ADC(2)_aug-cc-pVTZ_addon.dat","fluo/nitrosomethane_ADC(2.5)_aug-cc-pVTZ.dat","fluo/nitrosomethane_ADC(2.5)_aug-cc-pVTZ_addon.dat","fluo/nitrosomethane_ADC(3)_aug-cc-pVTZ.dat","fluo/nitrosomethane_ADC(3)_aug-cc-pVTZ_addon.dat","fluo/nitrosomethane_CC2_aug-cc-pVTZ.dat","fluo/nitrosomethane_CC2_aug-cc-pVTZ_addon.dat","fluo/nitrosomethane_CC3(Full)_aug-cc-pVQZ.dat","fluo/nitrosomethane_CC3_6-31+G(d).dat","fluo/nitrosomethane_CC3_aug-cc-pVDZ.dat","fluo/nitrosomethane_CC3_aug-cc-pVQZ.dat","fluo/nitrosomethane_CC3_aug-cc-pVTZ.dat","fluo/nitrosomethane_CC3_aug-cc-pVTZ_addon.dat","fluo/nitrosomethane_CCSD(T)(a)_aug-cc-pVTZ.dat","fluo/nitrosomethane_CCSDR(3)_aug-cc-pVTZ.dat","fluo/nitrosomethane_CCSDT-3_aug-cc-pVTZ.dat","fluo/nitrosomethane_CCSDT_6-31+G(d).dat","fluo/nitrosomethane_CCSDT_aug-cc-pVDZ.dat","fluo/nitrosomethane_CCSDT_aug-cc-pVTZ.dat","fluo/nitrosomethane_CCSD_aug-cc-pVTZ.dat","fluo/nitrosomethane_CIS(D)_aug-cc-pVTZ.dat","fluo/nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat","fluo/nitrosomethane_FCI_aug-cc-pVDZ.dat","fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat","fluo/nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat","fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat","fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat","fluo/nitrosomethane_STEOM-CCSD_aug-cc-pVTZ.dat","fluo/nitrosomethane_TBE(Full)_CBS.dat","fluo/nitrosomethane_TBE_aug-cc-pVTZ.dat","fluo/thioformaldehyde_ADC(2)_aug-cc-pVTZ.dat","fluo/thioformaldehyde_ADC(2)_aug-cc-pVTZ_addon.dat","fluo/thioformaldehyde_ADC(2.5)_aug-cc-pVTZ.dat","fluo/thioformaldehyde_ADC(2.5)_aug-cc-pVTZ_addon.dat","fluo/thioformaldehyde_ADC(3)_aug-cc-pVTZ.dat","fluo/thioformaldehyde_ADC(3)_aug-cc-pVTZ_addon.dat","fluo/thioformaldehyde_CC2_aug-cc-pVTZ.dat","fluo/thioformaldehyde_CC2_aug-cc-pVTZ_addon.dat","fluo/thioformaldehyde_CC3(Full)_aug-cc-pV5Z.dat","fluo/thioformaldehyde_CC3(Full)_aug-cc-pVQZ.dat","fluo/thioformaldehyde_CC3(Full)_d-aug-cc-pVQZ.dat","fluo/thioformaldehyde_CC3_6-31+G(d).dat","fluo/thioformaldehyde_CC3_aug-cc-pVDZ.dat","fluo/thioformaldehyde_CC3_aug-cc-pVQZ.dat","fluo/thioformaldehyde_CC3_aug-cc-pVTZ.dat","fluo/thioformaldehyde_CC3_aug-cc-pVTZ_addon.dat","fluo/thioformaldehyde_CC3_d-aug-cc-pVQZ.dat","fluo/thioformaldehyde_CCSD(T)(a)_aug-cc-pVTZ.dat","fluo/thioformaldehyde_CCSDR(3)_aug-cc-pVTZ.dat","fluo/thioformaldehyde_CCSDT-3_aug-cc-pVTZ.dat","fluo/thioformaldehyde_CCSDTQ_6-31+G(d).dat","fluo/thioformaldehyde_CCSDTQ_aug-cc-pVDZ.dat","fluo/thioformaldehyde_CCSDT_6-31+G(d).dat","fluo/thioformaldehyde_CCSDT_aug-cc-pVDZ.dat","fluo/thioformaldehyde_CCSDT_aug-cc-pVTZ.dat","fluo/thioformaldehyde_CCSD_aug-cc-pVTZ.dat","fluo/thioformaldehyde_CIS(D)_aug-cc-pVTZ.dat","fluo/thioformaldehyde_CIS(D∞)_aug-cc-pVTZ.dat","fluo/thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat","fluo/thioformaldehyde_FCI_aug-cc-pVDZ.dat","fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat","fluo/thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat","fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat","fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat","fluo/thioformaldehyde_STEOM-CCSD_aug-cc-pVTZ.dat","fluo/thioformaldehyde_TBE(Full)_CBS.dat","fluo/thioformaldehyde_TBE_aug-cc-pVTZ.dat"] return files } window.onload = async function () { processingIndicator.isActive = true const setsSec = $('#publis_sets') var myDB = await indexDB.loadAsync() const sets = myDB.sets var odois=[] for (const [setName,dois] of sets) { if (dois.</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 600 highly-accurate excitation energies of various natures (valence, Rydberg, \(n \rightarrow \pi^\star\) , \(\pi \rightarrow \pi^\star\) , singlet, doublet, triplet, charge transfer, and double excitations) for molecules ranging from diatomics to bicyclic compounds (see below). 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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<description>window.onload = async function () { if (typeof (navigator.clipboard) == 'undefined' || typeof (navigator.clipboard.writeText) === 'undefined') { btn_clip = document.getElementById("btn_clip"); btn_clip.disabled = true; var browsers = {}; browsers["Chromium"] = "https://chromium.woolyss.com/download"; browsers["Firefox"] = "https://www.mozilla.org/fr/firefox"; var recomstring = "We recommend to use Firefox or a Chromium based browser like Google Chrome".; btn_clip.title = 'This feature is not supported in this browser.\n' + recomsting; var mystr = 'navigator.clipboard.writeText() not supported in this browser\n' + recomsting; for (var key in browsers) { mystr += "</description>
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</item>
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</channel>
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</rss>
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