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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Feb-2019sa-AuPt-0111García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--163.08370785; eV
thumbnail.jpeg8-May-2017Ru-3-21García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer Method---363.42206980; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer1_4060Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2222.69196643; eV
thumbnail.jpeg18-Sep-2019AuClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--3.61649650; eV
thumbnail.jpeg18-Sep-2019VCMFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--30.63828978; eV
thumbnail.jpeg18-Sep-2019PtClFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--4.54803755; eV
thumbnail.jpeg18-Sep-2019Cl2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--3.57526969; eV
thumbnail.jpeg18-Sep-2019Pt_atomFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--0.58730784; eV
thumbnail.jpeg18-Sep-2019Au_atomFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle pointDFT--0.18658681; eV
thumbnail.jpeg8-May-2017Ru-3-09García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexImproved Dimer Method---363.46002330; eV
Results 11281-11290 of 104079 (Search time: 0.008 seconds).