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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2021naked_SAC_C2H4-H-HscRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--1946.57093916; eV
thumbnail.jpeg23-Feb-2021naked_trimer_C2H2Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1953.82541835; eV
thumbnail.jpeg23-Feb-2021naked_trimer_C2H4Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1954.73857969; eV
thumbnail.jpeg23-Feb-2021Fe-s_2CO-C2H3Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1971.47955140; eV
thumbnail.jpeg23-Feb-2021naked_trimer_H2-sigmaRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1927.65666139; eV
thumbnail.jpeg23-Feb-2021naked_trimer_H2-hydrideRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1929.33566998; eV
thumbnail.jpeg23-Feb-2021naked_trimer_C2H6Ruiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1961.31737544; 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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