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Collection's Items (Sorted by Submit Date in Descending order): 1 to 14 of 14
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required11-Feb-2019Ag-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--125.30436866; eV
Login required11-Feb-2019Au-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--150.76413218; eV
Login required11-Feb-2019Cd-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--36.05766447; eV
Login required11-Feb-2019Co-0000García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--327.84407818; eV
Login required11-Feb-2019Cu-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--171.38308451; eV
Login required11-Feb-2019Fe-0000García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--375.54027476; eV
Login required11-Feb-2019Ir-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--408.05800262; eV
Login required11-Feb-2019Ni-0000García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--250.91869356; eV
Login required11-Feb-2019Os-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--518.61939974; eV
Login required11-Feb-2019Pd-0000García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--241.23300654; eV
Login required11-Feb-2019Pt-0000García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--282.75561201; eV
Login required11-Feb-2019Rh-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--333.72858462; eV
Login required11-Feb-2019Ru-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--423.06851142; eV
Login required11-Feb-2019Zn-0000García Muelas, Rodrigovasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complexGeometry optimizationDFT--53.85841374; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 14 of 14
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