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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Feb-2019ss-PdRh-2412García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--303.06094419; eV
thumbnail.jpeg12-Feb-2019ss-CuPd-2401García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--221.50180918; eV
thumbnail.jpeg12-Feb-2019ss-RhAg-2413García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--312.15580376; eV
thumbnail.jpeg12-Feb-2019ss-OsRh-1401García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--491.56278459; eV
thumbnail.jpeg12-Feb-2019ss-CdCo-2325García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--142.55759607; eV
thumbnail.jpeg12-Feb-2019ss-CdCu-2423García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--113.19716447; eV
thumbnail.jpeg1-Dec-2017/Racemization/TS_H/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--2026.91332746; Eh
thumbnail.jpeg12-Feb-2019sa-RuFe-2011García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--447.20962888; eV
thumbnail.jpeg1-Dec-2017/Racemization/TS_Rac/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--456.264743798; Eh
thumbnail.jpeg12-Feb-2019sa-RhIr-2411García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--375.34641580; eV
Results 41-50 of 1824 (Search time: 0.001 seconds).