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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Nov-20221pF-d(solid)_NRCastro, Abril C.Gaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-4132.8418781; Eh
thumbnail.jpeg15-Nov-20221oF-m(solv)_OPTCastro, Abril C.Gaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE; RPBEPBEGENECP-2067.1706224; Eh
thumbnail.jpeg15-Nov-20221oF-d(solid)_NRCastro, Abril C.Gaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-4132.8159249; Eh
thumbnail.jpeg15-Nov-20223F-m(solv)_OPTCastro, Abril C.Gaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBE; RPBEPBEGENECP-2155.515862; Eh
Login required8-Nov-2023I0Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4274.75947514; Eh
thumbnail.jpeg15-Nov-2023/Cluster_PBE-D3_(diffuse) I1Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4080.84020204; 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-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) I5Le, HiepGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEDEF2TZVP DEF2SVP GEN-4347.58655640; Eh
Results 192681-192690 of 192740 (Search time: 0.154 seconds).