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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Aug-2020TS2fDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM066-31G** 6-31G* LANL2DZ GEN-1469.63448955; Eh
thumbnail.jpeg26-Aug-2020RhcodCO3HDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM066-31G* LANL2DZ GEN-685.633851405; Eh
thumbnail.jpeg26-Aug-20201aDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM066-31G** 6-31G* GEN-784.028444291; Eh
thumbnail.jpeg26-Aug-2020TS9aDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM066-31G** 6-31G* LANL2DZ GEN-1469.63836448; Eh
thumbnail.jpeg26-Aug-20202aDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM066-31G** 6-31G* LANL2DZ GEN-1469.70314314; Eh
thumbnail.jpeg26-Aug-2020TS2aDeng, ChaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM066-31G** 6-31G* LANL2DZ GEN-1469.65139115; Eh
Login required31-Mar-2021/P2BMe4 I-F-TS_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-3402.4601722; Eh
Login required31-Mar-2021/P2BMe4 G-H-TS_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-5053.8335882; Eh
Login required31-Mar-2021/P2BMe4 I_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-3402.4622531; Eh
Login required31-Mar-2021/P2BMe4 L_o_(M06)Nelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P) GENECP-1651.3001285; Eh
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