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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jan-2020Cu-iRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1903.07852069; 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-2020Fe-i-CuI-s-sepRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1912.82245422; eV
thumbnail.jpeg31-Jan-2020Fe-i-CuI-sRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1913.15447645; eV
thumbnail.jpeg31-Jan-2020Cu-i-ICu-sRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1906.90640161; eV
thumbnail.jpeg31-Jan-2020Cu-s-I-tRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1903.84482127; eV
thumbnail.jpeg31-Jan-2020Cu-s-I-sRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1900.88565613; eV
thumbnail.jpeg31-Jan-2020Cu2I-sRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1908.72814937; eV
thumbnail.jpeg31-Jan-2020Cu-i-I-tRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1904.59741897; eV
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