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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Feb-2021naked_trimer_C2H4-H2-hydrideRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1962.53937579; eV
thumbnail.jpeg23-Feb-2021Fe-s_3CO-H2-sigmaRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1962.13675376; eV
thumbnail.jpeg23-Feb-2021naked_trimer_C2H5Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1962.39110386; eV
thumbnail.jpeg23-Feb-2021Fe3_2CO-C2H4Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1987.26910992; eV
thumbnail.jpeg23-Feb-2021Fe-s_2CO-C2H4-H-HscRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1979.63184883; eV
thumbnail.jpeg23-Feb-2021Fe3_2CO-C2H5Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1995.32642537; eV
thumbnail.jpeg23-Feb-2021Fe-s_2CO-C2H2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1970.21959251; eV
thumbnail.jpeg23-Feb-2021Fe3_2CO-C2H2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1986.05201092; eV
thumbnail.jpeg23-Feb-2021Fe-s_2CO-C2H6Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1980.68039439; eV
thumbnail.jpeg23-Feb-2021naked_SAC_H2-sigmaRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1913.87859255; eV
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