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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Sep-2019ads_oh-PtCl-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2047.28570834; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer1_2080Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2222.10876071; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer1_2160Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2222.16905468; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer1_2180Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2222.82881205; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer1_2120Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2221.53987866; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer1_2140Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2222.90339370; eV
thumbnail.jpeg2-Aug-2018MDsnap_trimer1_2100Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--2221.87801215; eV
thumbnail.jpeg1-Dec-2017TS-C2H4-C2H5-on-Pd(111)Shahrokhi, Masoudvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---178.72137999; eV
thumbnail.jpeg1-Dec-20172H-Pd(111)Shahrokhi, Masoudvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---151.03168724; eV
thumbnail.jpeg18-Sep-2019ads_rol1_din2-PtCl-acFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2021.36226983; eV
Results 12001-12010 of 104079 (Search time: 0.009 seconds).