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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2023RFW-CMS2-2water-optVlaisavljevich, Bessvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-onlyGeometry optimizationDFT--2956.48732148; eV
Login required21-Jun-2023RFW-CMS1-2water-freqVlaisavljevich, Bessvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-onlyFrequenciesDFT--2956.52981000; eV
Login required21-Jun-2023RFW-CMS2-2water-freqVlaisavljevich, Bessvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-onlyFrequenciesDFT--2955.79151208; eV
Login required21-Jun-2023RFW-CMS2-water-optVlaisavljevich, Bessvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-onlyGeometry optimizationDFT--2942.49506450; eV
Login required21-Jun-2023CMS2-2water-optVlaisavljevich, Bessvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-onlyGeometry optimizationDFT--2956.57112933; eV
Login required21-Jun-2023CMS1-CO2-optVlaisavljevich, Bessvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-onlyGeometry optimizationDFT--2949.88580026; eV
Login required21-Jun-2023guest-water-tpsshd3-spVlaisavljevich, BessTURBOMOLE; 7.3Single pointDFTdef2-TZVP-76.45614645514; Eh
Login required21-Jun-2023guest-co2-tpsshd3-spVlaisavljevich, BessTURBOMOLE; 7.3Single pointDFTdef2-TZVP-188.6691260876; Eh
Results 21-28 of 28 (Search time: 0.001 seconds).