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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Nov-2017ss-ZnCu-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---85.12477984; eV
thumbnail.jpeg28-Nov-2017ss-ZnCu-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---92.24392366; eV
thumbnail.jpeg28-Nov-2017ss-ZnCu-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---96.21599870; eV
thumbnail.jpeg12-Feb-2019ss-ZnCu-2122García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--118.73190135; eV
thumbnail.jpeg28-Nov-2017ss-ZnCu-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---116.02788849; eV
thumbnail.jpeg28-Nov-2017ss-ZnFe-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---135.42556409; eV
thumbnail.jpeg28-Nov-2017ss-ZnFe-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---142.32870367; eV
thumbnail.jpeg28-Nov-2017ss-ZnFe-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---146.58232463; eV
thumbnail.jpeg28-Nov-2017ss-ZnFe-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---166.40562034; eV
thumbnail.jpeg12-Feb-2019ss-ZnFe-2321García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--177.73869700; eV
thumbnail.jpeg28-Nov-2017ss-ZnIr-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---148.74197214; eV
thumbnail.jpeg28-Nov-2017ss-ZnIr-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---155.68285850; eV
thumbnail.jpeg28-Nov-2017ss-ZnIr-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---159.71106912; eV
thumbnail.jpeg12-Feb-2019ss-ZnIr-2121García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--182.94360657; eV
thumbnail.jpeg28-Nov-2017ss-ZnIr-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---179.39252154; eV
thumbnail.jpeg12-Feb-2019ss-ZnIr-2521García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--198.39647245; eV
thumbnail.jpeg28-Nov-2017ss-ZnNi-0000García Muelas, Rodrigovasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexGeometry optimization---107.90918183; eV
thumbnail.jpeg28-Nov-2017ss-ZnNi-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---114.79852382; eV
thumbnail.jpeg28-Nov-2017ss-ZnNi-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---118.86595650; eV
thumbnail.jpeg28-Nov-2017ss-ZnNi-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---138.57704253; eV