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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jan-2020CuCu-stRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1903.91917505; eV
thumbnail.jpeg31-Jan-2020Cu-sRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1902.49214236; eV
thumbnail.jpeg31-Jan-2020Fe-i-Cu-s-I-s-sepRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1911.30154838; eV
thumbnail.jpeg31-Jan-2020FeCuCu-siuRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1911.97762588; eV
thumbnail.jpeg31-Jan-2020FeCuFe-siuRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1915.83551089; eV
thumbnail.jpeg31-Jan-2020Fe-i-FeI-sRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1917.12853146; eV
thumbnail.jpeg31-Jan-2020FeFeFe-siuRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1921.10574899; eV
thumbnail.jpeg31-Jan-2020CuFe-siRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1910.16460329; eV
thumbnail.jpeg31-Jan-2020FeFe-iuRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1914.20549970; eV
thumbnail.jpeg31-Jan-2020Cu-uRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1902.53508453; eV
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