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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Apr-2026CuCl-E-keto-bidentateRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2360.42982626; eV
thumbnail.jpeg21-Apr-2026CuCl2-E-carbRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2382.67150845; eV
thumbnail.jpeg21-Apr-2026CuCl2-E-ketoRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2362.57104647; eV
thumbnail.jpeg21-Apr-2026PtCl2-B-2xketo-OCRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1985.07846929; eV
thumbnail.jpeg21-Apr-2026PtCl2-B-2xketo-OORuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1984.86056003; eV
thumbnail.jpeg21-Apr-2026CuCl-E-keto-monodentateRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2359.67773062; eV
thumbnail.jpeg21-Apr-2026PtCl2-B-4xketoRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1959.86337176; eV
thumbnail.jpeg21-Apr-2026PtCl2-B-2xepoRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2026.29021335; eV
thumbnail.jpeg21-Apr-2026Pt-B-2xketoRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1977.97658004; eV
thumbnail.jpeg21-Apr-2026Pt-B-4xketoRuiz, Andreavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1955.25560628; eV
Results 7001-7010 of 103529 (Search time: 0.006 seconds).