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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Aug-2020/opt/intermediates/Ni/CH3I topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--210.40666679; eV
Login required6-Aug-2020/opt/intermediates/Rh/CCl fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--262.26981324; eV
Login required6-Aug-2020/opt/intermediates/Ir/Cl topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--309.73056537; eV
Login required6-Aug-2020/opt/interactions/Rh Br_1Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--266.97550572; eV
Login required6-Aug-2020/opt/intermediates/Cu/CH3I topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--150.41586096; eV
Login required6-Aug-2020/opt/intermediates/Ni/CHF hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--204.70321505; eV
Login required6-Aug-2020/opt/intermediates/Ru/CF topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--329.49382608; eV
Login required6-Aug-2020/opt/intermediates/Ir/I topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--309.21873610; eV
Login required6-Aug-2020/opt/gasses Cl2Pablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--3.57507053; eV
Login required6-Aug-2020/workfunctions NiPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--188.27101909; eV
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