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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Nov-2017ss-PdCo-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---264.44798933; eV
thumbnail.jpeg28-Nov-2017ss-PdCo-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---270.06596287; eV
thumbnail.jpeg28-Nov-2017ss-PdCo-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---274.57260882; eV
thumbnail.jpeg28-Nov-2017ss-PdCo-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---295.61297203; eV
thumbnail.jpeg28-Nov-2017ss-PdCu-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---226.41396176; eV
thumbnail.jpeg28-Nov-2017ss-PdCu-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---232.47970502; eV
thumbnail.jpeg28-Nov-2017ss-PdCu-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---236.49941983; eV
thumbnail.jpeg12-Feb-2019ss-PdCu-0211García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--240.96349892; eV
thumbnail.jpeg28-Nov-2017ss-PdCu-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---258.29077204; eV
thumbnail.jpeg12-Feb-2019ss-PdCu-2225García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--264.84028353; eV
thumbnail.jpeg28-Nov-2017ss-PdFe-0000García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---282.56272598; eV
thumbnail.jpeg28-Nov-2017ss-PdFe-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---287.50215917; eV
thumbnail.jpeg28-Nov-2017ss-PdFe-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---292.62490236; eV
thumbnail.jpeg12-Feb-2019ss-PdFe-2111García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--310.09803250; eV
thumbnail.jpeg28-Nov-2017ss-PdFe-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---313.55596983; eV
thumbnail.jpeg12-Feb-2019ss-PdFe-2513García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--325.46790823; eV
thumbnail.jpeg28-Nov-2017ss-PdIr-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---282.69732137; eV
thumbnail.jpeg28-Nov-2017ss-PdIr-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---289.02767624; eV
thumbnail.jpeg28-Nov-2017ss-PdIr-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---293.30259226; eV
thumbnail.jpeg12-Feb-2019ss-PdIr-2201García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--307.70458440; eV