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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Nov-202032-TS1-3aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31G* SDD GENECP-1560.78135974; Eh
thumbnail.jpeg14-Nov-202032-TS1-2bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31G* SDD GENECP-1560.78286990; Eh
thumbnail.jpeg14-Nov-202032-Int3aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-1560.79641003; Eh
thumbnail.jpeg14-Nov-202032-Int3bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-1560.79937715; Eh
thumbnail.jpeg14-Nov-202032-Int2aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-1560.81621241; Eh
thumbnail.jpeg14-Nov-202032-Int2bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-1560.80195382; Eh
thumbnail.jpeg14-Nov-202032-Int1Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-1560.79016818; Eh
thumbnail.jpeg14-Nov-202032-TS1-3bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31G* SDD GENECP-1560.78034047; Eh
thumbnail.jpeg14-Nov-202032-TS3b-2bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31G* SDD GENECP-1560.79723704; Eh
thumbnail.jpeg14-Nov-202032-TS3a-2aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31G* SDD GENECP-1560.78909454; Eh
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