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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Dec-2016/Yb2 Yb2González Fabra, JoanADF; 2013; 01Geometry optimizationDFTTZP; DZP-27.28845804; Eh
thumbnail.jpeg12-Dec-2016/YbLa YbLaGonzález Fabra, JoanADF; 2013; 01Geometry optimizationDFTTZP; DZP-27.47801425; Eh
thumbnail.jpeg12-Dec-2016/YbPr YbPrGonzález Fabra, JoanADF; 2013; 01Geometry optimizationDFTTZP; DZP-27.49216415; Eh
Login required11-Feb-2019Zn-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--53.85841374; eV
Login required21-Jun-2017Zn-0011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---61.06921578; eV
Login required21-Jun-2017Zn-0021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---65.01857516; eV
Login required21-Jun-2017Zn-0101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---56.78228462; eV
Login required21-Jun-2017Zn-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---64.69913529; eV
Login required21-Jun-2017Zn-0211García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---68.27673781; eV
Login required21-Jun-2017Zn-1001García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---60.13042737; eV
Login required21-Jun-2017Zn-1011García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---68.81477215; eV
Login required21-Jun-2017Zn-1021García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---76.87290603; eV
Login required21-Jun-2017Zn-1101García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---64.87985214; eV
Login required21-Jun-2017Zn-1111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---72.12514951; eV
Login required21-Jun-2017Zn-1112García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---71.27544648; eV
Login required21-Jun-2017Zn-1121García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---80.95109711; eV
Login required21-Jun-2017Zn-1122García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---79.80230683; eV
Login required21-Jun-2017Zn-1201García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---68.95272603; eV
Login required21-Jun-2017Zn-1211García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---76.21573386; eV
Login required21-Jun-2017Zn-1212García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---75.43109270; eV