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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 I10Le, HiepGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBEPBEDEF2TZVP DEF2SVP GEN-4425.92957614; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 I9Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4425.91941331; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 I7Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4347.45323101; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 I8Le, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2TZVP DEF2SVP GEN-4231.92396358; 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-D2 I1Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4080.82549846; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 iPrOHLe, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2SVP GEN-193.960590976; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 GVLLe, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2SVP GEN-345.152005678; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D2 TS2-3Le, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2TZVP DEF2SVP GEN-4540.35314106; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D2 I3Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4540.36256517; Eh
Results 31-40 of 53 (Search time: 0.001 seconds).