1. Institute of Chemical Research of Catalonia

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Showing results 24339 to 24358 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required11-Nov-2022/M_C22H12S2_a/Pt_C22H12S2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--252.84042003; eV
Login required11-Nov-2022/M_C22H12S2_a/Rh_C22H12S2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--252.87600543; eV
Login required11-Nov-2022/M_C22H12S2_a/Ru_C22H12S2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--254.11476101; eV
Login required11-Nov-2022/M_C22H12S2_a/Zn_C22H12S2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--246.82525585; eV
Login required11-Nov-2022/M_C22H12S2_b/Ag_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--246.72595465; eV
Login required11-Nov-2022/M_C22H12S2_b/Au_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--248.15541353; eV
Login required11-Nov-2022/M_C22H12S2_b/Cd_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--245.67148888; eV
Login required11-Nov-2022/M_C22H12S2_b/Co_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--252.80663273; eV
Login required11-Nov-2022/M_C22H12S2_b/Cu_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--248.71902961; eV
Login required11-Nov-2022/M_C22H12S2_b/Fe_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--253.83116245; eV
Login required11-Nov-2022/M_C22H12S2_b/Ir_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--254.39783306; eV
Login required11-Nov-2022/M_C22H12S2_b/Ni_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.88702653; eV
Login required11-Nov-2022/M_C22H12S2_b/Os_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--255.66989669; eV
Login required11-Nov-2022/M_C22H12S2_b/Pd_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.36992263; eV
Login required11-Nov-2022/M_C22H12S2_b/Pt_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--252.87584888; eV
Login required11-Nov-2022/M_C22H12S2_b/Rh_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
Login required11-Nov-2022/M_C22H12S2_b/Ru_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--254.16493672; eV
Login required11-Nov-2022/M_C22H12S2_b/Zn_C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--246.85567111; eV
Login required11-Nov-2022/M_C23H12N/Ag_C23H12N relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--256.11092383; eV
Login required11-Nov-2022/M_C23H12N/Au_C23H12N relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.91992461; eV
Showing results 24339 to 24358 of 63196 < previous   next >