1. Institute of Chemical Research of Catalonia

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Showing results 1 to 20 of 3239  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required11-Nov-2022/M_C20H12N4/Ag_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--258.52634078; eV
Login required11-Nov-2022/M_C20H12N4/Au_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--259.00197188; eV
Login required11-Nov-2022/M_C20H12N4/Cd_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.71104398; eV
Login required11-Nov-2022/M_C20H12N4/Co_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.26407285; eV
Login required11-Nov-2022/M_C20H12N4/Cu_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--260.60804358; eV
Login required11-Nov-2022/M_C20H12N4/Fe_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--265.68722747; eV
Login required11-Nov-2022/M_C20H12N4/Ir_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--265.59835254; eV
Login required11-Nov-2022/M_C20H12N4/Ni_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--263.04636293; eV
Login required11-Nov-2022/M_C20H12N4/Os_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--266.82768280; eV
Login required11-Nov-2022/M_C20H12N4/Pd_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--262.96711577; eV
Login required11-Nov-2022/M_C20H12N4/Pt_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.33357461; eV
Login required11-Nov-2022/M_C20H12N4/Rh_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.23091300; eV
Login required11-Nov-2022/M_C20H12N4/Ru_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--265.41922836; eV
Login required11-Nov-2022/M_C20H12N4/Zn_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--259.24919101; eV
Login required11-Nov-2022/M_C20H12P4/Ag_C20H12P4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--243.14674936; eV
Login required11-Nov-2022/M_C20H12P4/Au_C20H12P4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--244.25064192; eV
Login required11-Nov-2022/M_C20H12P4/Cd_C20H12P4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--240.51147939; eV
Login required11-Nov-2022/M_C20H12P4/Co_C20H12P4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--249.30446238; eV
Login required11-Nov-2022/M_C20H12P4/Cu_C20H12P4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--245.31190022; eV
Login required11-Nov-2022/M_C20H12P4/Fe_C20H12P4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--250.43647117; eV
Showing results 1 to 20 of 3239  next >