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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Nov-2024/N3PyQbis frq_feiv-o_2_1Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N3PyQbis frq_feiv-o_2_3Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N3PyIm frq_feiii-o_1_4Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N3PyIm frq_feiii-o_1_2Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-o_1_6Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-o_1_4Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N2Py2B frq_feiii-o_1_2Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N3PyQbis frq_feiii-oh_2_6Swart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N3PyB opt_feiv-oh_3_1Swart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg23-Nov-2024/N3PyB opt_feiv-oh_3_5Swart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
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