Browsing by Author Swart, Marcel

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Oct-2023ts_ic-c-stilbene_2_3_2219595_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-c-stilbene_2_5_2219596_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-CH220_2_3_2219675_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-CH220_2_5_2220187_outSwart, MarcelADF; 2019; 304Geometry optimization Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-CH_2_3_2219337_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-CH_2_5_2219180_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-cyclohex_2_3_2219599_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-cyclohex_2_5_2219600_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-cycoctA220_2_3_2219666_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-cycoctA220_2_5_2219667_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-cycoctA_2_3_2219597_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-cycoctA_2_5_2219598_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-dfTHIO220_2_3_2219668_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-dfTHIO220_2_5_2219669_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-dfTHIO_2_3_2219603_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-dfTHIO_2_5_2219604_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-dha_2_3_2219339_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-dha_2_5_2219181_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-dmTHIO220_2_3_2219670_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023ts_ic-dmTHIO220_2_5_2219671_outSwart, MarcelADF; 2019; 304Single point Quild4. 2. 1TZ2P-