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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required19-Sep-2022/DDQ TS7AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-2755.96104459; Eh
Login required19-Sep-2022/Common_Structures Succinimide_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-359.761280836; Eh
Login required19-Sep-2022/Common_Structures Br_BpinWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-2984.72798774; Eh
Login required19-Sep-2022/Common_Structures NBSWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-2933.51846931; Eh
Login required19-Sep-2022/Common_Structures I2_dimerWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-1190.52258133; Eh
Login required19-Sep-2022/Common_Structures I3_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-893.073921669; Eh
Login required19-Sep-2022/Common_Structures I2Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-595.258454979; Eh
Login required19-Sep-2022/Common_Structures Br_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Single point MinimumRM062XDEF2SVP-2574.02294397; Eh
Login required19-Sep-2022/Common_Structures I_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Single point MinimumRM062XDEF2SVP-297.796077603; Eh
Login required19-Sep-2022/DDQ TS8AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-2755.96180397; Eh
Results 281-290 of 493 (Search time: 0.016 seconds).