1. Institute of Chemical Research of Catalonia

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Showing results 24116 to 24135 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required11-Nov-2022/M_C21H12S3/Ir_C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--249.93179905; eV
Login required11-Nov-2022/M_C21H12S3/Ni_C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--246.79647586; eV
Login required11-Nov-2022/M_C21H12S3/Os_C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.31630948; eV
Login required11-Nov-2022/M_C21H12S3/Pd_C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--246.34223781; eV
Login required11-Nov-2022/M_C21H12S3/Pt_C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--247.46014967; eV
Login required11-Nov-2022/M_C21H12S3/Rh_C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--248.80658190; eV
Login required11-Nov-2022/M_C21H12S3/Ru_C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--250.02928620; eV
Login required11-Nov-2022/M_C21H12S3/Zn_C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--242.21803893; eV
Login required11-Nov-2022/M_C22H12N2_a/Ag_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.47420722; eV
Login required11-Nov-2022/M_C22H12N2_a/Au_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--259.15903068; eV
Login required11-Nov-2022/M_C22H12N2_a/Cd_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--255.30461048; eV
Login required11-Nov-2022/M_C22H12N2_a/Co_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--262.09900617; eV
Login required11-Nov-2022/M_C22H12N2_a/Cu_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--258.78272883; eV
Login required11-Nov-2022/M_C22H12N2_a/Fe_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--263.77793046; eV
Login required11-Nov-2022/M_C22H12N2_a/Ir_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.09868995; eV
Login required11-Nov-2022/M_C22H12N2_a/Ni_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--260.90563647; eV
Login required11-Nov-2022/M_C22H12N2_a/Os_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--265.08197072; eV
Login required11-Nov-2022/M_C22H12N2_a/Pd_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--260.73290624; eV
Login required11-Nov-2022/M_C22H12N2_a/Pt_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--262.57792609; eV
Login required11-Nov-2022/M_C22H12N2_a/Rh_C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--262.25726669; eV
Showing results 24116 to 24135 of 63047 < previous   next >