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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Aug-2018N6-edge-AuCl@CNFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2915.87423880; eV
thumbnail.jpeg2-Aug-2018N6-edge-Au@CNFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2911.63999654; eV
thumbnail.jpeg2-Aug-2018frequency59Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--2068.17201685; eV
thumbnail.jpeg2-Aug-2018frequency4Fako, Edvinvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyFrequenciesDFT--6.76521098; eV
thumbnail.jpeg2-Aug-2018N6-edge-Au@2NFako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--2912.67015651; eV
thumbnail.jpeg2-Aug-2018frequency60Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--2066.60663920; eV
thumbnail.jpeg2-Aug-2018frequency41Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--2019.07518602; eV
thumbnail.jpeg2-Aug-2018frequency20Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--2063.55461021; eV
thumbnail.jpeg2-Aug-2018frequency57Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--1993.74593524; eV
thumbnail.jpeg2-Aug-2018frequency43Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--2085.73947937; eV
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