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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Oct-2023ts_ic-thio220_2_5_2219665_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-thio_2_3_2219353_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-thio_2_5_2219612_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg18-Apr-2023ts_II-IIIc2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts_IV-IIa_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts_IV-IIc2_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg20-Sep-2021TS_OOBorowski, TomaszGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-1087.41858017; Eh
thumbnail.jpeg20-Oct-2023ts_sc-2sty_2_3_2219393_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-2sty_2_5_2219394_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-c-stilbene_2_3_2219345_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-c-stilbene_2_5_2219346_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-CH_2_3_2220186_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-CH_2_5_2219185_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-cyclohex_2_3_2219601_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-cyclohex_2_5_2219602_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-cycoctA_2_3_2219507_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-cycoctA_2_5_2219352_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-dfTHIO_2_3_2219371_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-dfTHIO_2_5_2219372_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_sc-dha_2_3_2219340_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-