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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Apr-2021_Fe1_CO_TSHRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1961.76191040; eV
thumbnail.jpeg21-Apr-2021_Fe3_CO_TS1Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1985.91835409; eV
thumbnail.jpeg23-Feb-2021Fe2-dim-pentRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2043.82841151; eV
thumbnail.jpeg23-Feb-2021Fe2-dim-pent-coRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2027.74799922; eV
thumbnail.jpeg23-Feb-2021Fe2_dimRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2107.49369983; eV
thumbnail.jpeg23-Feb-2021Fe2-2CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1946.22316592; eV
thumbnail.jpeg23-Feb-2021Fe3_5CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2003.40352230; eV
thumbnail.jpeg23-Feb-2021Fe3_6CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2019.14213470; eV
thumbnail.jpeg23-Feb-2021Fe3_9CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2066.98343573; eV
thumbnail.jpeg23-Feb-2021Fe3_2CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1954.32696352; eV
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