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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.">
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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.">
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<h1 id="how-to-export-molecular-geometries">How to export molecular geometries?</h1>
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<p>You need to use the <code>Export geometries</code> button below the geometry select box in the <a href="dataset">DATASET section</a>.
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This button allows to export geometries as a <a href="https://en.wikipedia.org/wiki/ZIP_%28file_format%29" rel="noopener" target="_blank">ZIP</a> file containing all the selected molecular geometries in <a href="https://wikipedia.org/wiki/XYZ_file_format" rel="noopener" target="_blank">xyz</a> format.</p>
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<hr>
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<h1 id="how-to-export-values-of-excitation-energies">How to export values of excitation energies?</h1>
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<p>In the <a href="dataset">DATASET section</a>, above each table there is an <code>Export table</code> button which allows to export the data of the chosen table as <a href="https://wikipedia.org/wiki/Comma-separated_values" rel="noopener" target="_blank">CSV</a> file.</p>
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M. Véril
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• ©
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0001
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•
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