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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Apr-2021_Fe3_bare_TS1Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1953.51167296; eV
thumbnail.jpeg21-Apr-2021_Fe3_bare_TS2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1953.56063107; eV
thumbnail.jpeg21-Apr-2021_Fe3_bare_TS4Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1960.73103643; eV
thumbnail.jpeg21-Apr-2021_Fe3_bare_TS3Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1961.23212567; eV
thumbnail.jpeg23-Feb-2021Fe-s_2CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1939.78438419; eV
thumbnail.jpeg23-Feb-2021Fe-s_3CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1955.89882231; eV
thumbnail.jpeg23-Feb-2021Fe-s_1CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1923.12641837; eV
thumbnail.jpeg23-Feb-2021Fe-sRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1906.75157252; 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-2021Fe-s_5CORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1987.12140838; eV
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