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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-Jul-2023/P_carbons/tr_C4P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.74997890; eV
Login required31-Jul-2023/S_carbons/tr_C5S3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.21595408; eV
Login required31-Jul-2023/P_carbons/tr_C4P1 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.77569626; eV
Login required31-Jul-2023/S_carbons/sq_C5S3 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--625.54957640; eV
Login required31-Jul-2023/P_carbons/tr_C4P0 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--620.37701295; eV
Login required31-Jul-2023/P_carbons/tr_C4P2 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--623.38926911; eV
Login required31-Jul-2023/S_carbons/tr_C5S1 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--647.31280536; eV
Login required31-Jul-2023/S_carbons/sq_C5S2_d2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.31829095; eV
Login required31-Jul-2023/S_carbons/sq_C5S2_s2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--630.98325425; eV
Login required31-Jul-2023/S_carbons/sq_C5S4 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.40171428; eV
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