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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Oct-2016/K8_Ta6 def2TZVP_(no_TD-DFT)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--6571.08099584; Eh
thumbnail.jpeg19-Sep-2016/Cs1_Ta6 TD-DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1793.33940168; Eh
thumbnail.jpeg13-Oct-2016/Li8_Ta6 def2TZVP_(no_TD-DFT)_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1833.15892388; Eh
thumbnail.jpeg13-Oct-2016/K8_Ta6 def2TZVP_(no_TD-DFT)_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--6571.08099584; Eh
thumbnail.jpeg13-Oct-2016/K8_Ta6 DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1999.02909052; Eh
thumbnail.jpeg19-Sep-2016/Nb6 TD-DFT_stabilitySerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1772.78616069; Eh
thumbnail.jpeg13-Oct-2016/Li8_Ta6 def2TZVP_(no_TD-DFT)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1833.15892391; Eh
thumbnail.jpeg13-Oct-2016/Li8_Ta6 AO_contribution_analysisSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure---
thumbnail.jpeg13-Oct-2016/K8_Ta6 AO_contribution_analysisSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure---
thumbnail.jpeg13-Oct-2016/Rb8_Ta6 TD-DFT_stability_Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point StructureRPBE1PBE--1965.77311116; Eh
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