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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ru/CH3I fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--339.23433725; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ru/CH3F topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.27869519; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Rh/CCl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--262.34376815; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ru/CI topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--326.69849158; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ru/CI fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--327.93435577; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Rh/CF fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--263.87263935; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ru/CHCl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--332.45191278; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ru/Cl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--321.30868330; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ru/CHF hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--333.98052906; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Rh/CF topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--262.19171671; eV
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