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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 I1Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4080.73419608; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) I5Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4347.58655640; 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) I6Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4347.57460597; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) I3Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4540.38532609; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) I4Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4347.57849728; Eh
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-20221oF-m(solv)_OPTCastro, Abril C.Gaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE; RPBEPBEGENECP-2067.1706224; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 TS5-6Le, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2TZVP DEF2SVP GEN-4347.44736520; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3 TS6-7Le, HiepGaussian; 16; ES64L-G16RevC.01Single point MinimumRPBEPBEDEF2TZVP DEF2SVP GEN-4347.44320553; Eh
Results 192631-192640 of 192740 (Search time: 0.162 seconds).