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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2022/model TSAGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1218.69354335; Eh
thumbnail.jpeg9-Nov-2022/enone INT1aGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1826.91236027; Eh
thumbnail.jpeg9-Nov-2022/enone 1aGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1826.92580124; Eh
thumbnail.jpeg9-Nov-2022/enone 2aGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1826.95671352; Eh
thumbnail.jpeg9-Nov-2022/model IIGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1218.77975161; Eh
thumbnail.jpeg9-Nov-2022/model IGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-31G(D)-1218.74322952; Eh
thumbnail.jpeg9-Nov-2022/model INT1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1218.70420486; Eh
thumbnail.jpeg9-Nov-2022/model TS2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1218.70420486; Eh
thumbnail.jpeg9-Nov-2022/model TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X6-31G(D)-1218.71931766; Eh
thumbnail.jpeg9-Nov-2022/enamine/toluene 3c_tolueneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRM062X6-31G(D)-1885.67021277; Eh
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