Browsing by Subject Principal Component Regression

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Showing results 21 to 40 of 1094 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Feb-2019ol-CuNi-1311García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--216.60674611; eV
thumbnail.jpeg12-Feb-2019ol-CuOs-1001García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--259.28172331; eV
thumbnail.jpeg12-Feb-2019ol-CuPd-2222García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--227.94203474; eV
thumbnail.jpeg12-Feb-2019ol-CuPd-2223García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--228.23173498; eV
thumbnail.jpeg12-Feb-2019ol-CuRh-2421García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--255.94309205; eV
thumbnail.jpeg12-Feb-2019ol-CuRu-2001García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.44834741; eV
thumbnail.jpeg12-Feb-2019ol-IrAg-2315García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--370.37636867; eV
thumbnail.jpeg12-Feb-2019ol-IrAu-2312García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--378.33900054; eV
thumbnail.jpeg12-Feb-2019ol-IrCo-2325García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--426.77547089; eV
thumbnail.jpeg12-Feb-2019ol-IrOs-2222García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--472.41935125; eV
thumbnail.jpeg12-Feb-2019ol-IrOs-2421García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--479.55577417; eV
thumbnail.jpeg12-Feb-2019ol-IrPd-2214García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--399.60107665; eV
thumbnail.jpeg12-Feb-2019ol-IrPt-2221García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--417.43595628; eV
thumbnail.jpeg12-Feb-2019ol-IrRu-1212García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--433.12742400; eV
thumbnail.jpeg12-Feb-2019ol-IrRu-2424García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--456.54645137; eV
thumbnail.jpeg12-Feb-2019ol-NiCu-1401García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--256.17277877; eV
thumbnail.jpeg12-Feb-2019ol-NiFe-2201García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--308.23066637; eV
thumbnail.jpeg12-Feb-2019ol-NiPd-0101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--250.80964894; eV
thumbnail.jpeg12-Feb-2019ol-NiPd-2512García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--290.10842569; eV
thumbnail.jpeg12-Feb-2019ol-NiZn-1301García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--224.19794061; eV