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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) TS2-3Le, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2TZVP DEF2SVP GEN-4540.37377878; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) TS6-7Le, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2TZVP DEF2SVP GEN-4347.55894686; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) TS5-6Le, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2TZVP DEF2SVP GEN-4347.56372302; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) Me2COLe, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2SVP GEN-192.780086972; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) MeOHLe, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2SVP GEN-115.503647043; Eh
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