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Showing results 14040 to 14059 of 20492 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Jul-2018S1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4647.51622365; Eh
thumbnail.jpeg12-Feb-2019sa-AgAu-0000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--126.08524327; eV
thumbnail.jpeg12-Feb-2019sa-AgAu-0011García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--131.55552295; eV
thumbnail.jpeg12-Feb-2019sa-AgAu-0111García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--136.27385461; eV
thumbnail.jpeg12-Feb-2019sa-AgAu-2215García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--156.52498067; eV
thumbnail.jpeg12-Feb-2019sa-AgAu-2221García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--164.00512839; eV
thumbnail.jpeg12-Feb-2019sa-AgCd-0000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--123.78857640; eV
thumbnail.jpeg12-Feb-2019sa-AgCd-0011García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--129.56466311; eV
thumbnail.jpeg12-Feb-2019sa-AgCd-0111García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--134.28000710; eV
thumbnail.jpeg12-Feb-2019sa-AgCd-1101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--133.93162231; eV
thumbnail.jpeg12-Feb-2019sa-AgCd-1211García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--146.12397319; eV
thumbnail.jpeg12-Feb-2019sa-AgCd-2214García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--153.77448197; eV
thumbnail.jpeg12-Feb-2019sa-AgCd-2215García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--153.99803288; eV
thumbnail.jpeg12-Feb-2019sa-AgCo-0000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--127.96298435; eV
thumbnail.jpeg12-Feb-2019sa-AgCo-0011García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--135.10594691; eV
thumbnail.jpeg12-Feb-2019sa-AgCo-0111García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--138.77864477; eV
thumbnail.jpeg12-Feb-2019sa-AgCo-2113García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--154.72856437; eV
thumbnail.jpeg12-Feb-2019sa-AgCo-2215García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--159.32665950; eV
thumbnail.jpeg12-Feb-2019sa-AgCo-2411García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--167.32096955; eV
thumbnail.jpeg12-Feb-2019sa-AgCo-2414García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--167.07736431; eV