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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Sep-2016/Cs4_Nb6 AO_contribution_analysisSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Single point Structure---
thumbnail.jpeg13-Oct-2016/Li8_Ta6 Optimization_before_refreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--650.984854210; Eh
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/Li8_Ta6 FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBE1PBE--650.984849442; Eh
thumbnail.jpeg13-Oct-2016/Li8_Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--650.984854209; Eh
thumbnail.jpeg13-Oct-2016/K8_Ta6 RefreqSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1999.02909052; 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 Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBE1PBE--1999.02908891; Eh
Results 31-40 of 75 (Search time: 0.002 seconds).