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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jan-2020Fe-uRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1906.79620121; eV
thumbnail.jpeg31-Jan-2020Fe-tRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1903.81001373; eV
thumbnail.jpeg31-Jan-2020CuCuI-pyrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1960.53986067; eV
thumbnail.jpeg31-Jan-2020CuFeI-pyrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1964.91621605; eV
thumbnail.jpeg31-Jan-2020CuI-pyrRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1957.20226958; eV
thumbnail.jpeg31-Jan-2020CuFe-ssRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1909.05895195; eV
thumbnail.jpeg31-Jan-2020Cu-i-freeRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1903.54158354; eV
thumbnail.jpeg31-Jan-2020Cu-u-freeRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1903.49800742; eV
thumbnail.jpeg31-Jan-2020Cu-s-freeRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1902.56094005; eV
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