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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Nov-2017ol-CdIr-0000García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---120.60313995; eV
thumbnail.jpeg28-Nov-2017ol-CdAg-2215García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimization---87.32953794; eV
thumbnail.jpeg28-Nov-2017ol-CdAu-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---95.52890195; eV
thumbnail.jpeg28-Nov-2017ol-CdCo-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---129.31872326; eV
thumbnail.jpeg28-Nov-2017ol-CdCu-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---94.94677289; eV
thumbnail.jpeg28-Nov-2017ol-CdFe-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---142.37017473; eV
thumbnail.jpeg28-Nov-2017ol-CdPd-2215García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---118.91732956; eV
thumbnail.jpeg28-Nov-2017ol-CdAu-0111García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---74.69830867; eV
thumbnail.jpeg28-Nov-2017ol-CdNi-0000García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---83.65983886; eV
Login required28-May-2019/M4O14_3H_6iso M4O14_3H_6isoPetrus, EnricADF; 2016Single pointDFTTZP-
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