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Browsing by Subject Synthetic methods

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Showing results 1 to 20 of 34  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Jul-2024IMes+MeO2CCHN2_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-1298.23554027; Eh
thumbnail.jpeg17-Jul-2024IMes+MeO2CCHN2_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1299.7418511; Eh
thumbnail.jpeg17-Jul-2024IMes_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-922.295951709; Eh
thumbnail.jpeg17-Jul-2024IMes_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-923.3690288; Eh
thumbnail.jpeg17-Jul-2024IMesNNCHCO2Me_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-1298.29141023; Eh
thumbnail.jpeg17-Jul-2024IMesNNCHCO2Me_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1299.7943607; Eh
thumbnail.jpeg17-Jul-2024IMesNSeNCHCO2Me_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-3699.85900955; Eh
thumbnail.jpeg17-Jul-2024IMesNSeNCHCO2Me_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-3701.6770818; Eh
thumbnail.jpeg17-Jul-2024IMesSe+MeO2CCHN2_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-3699.87137750; Eh
thumbnail.jpeg17-Jul-2024IMesSe+MeO2CCHN2_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-3701.68912; Eh
thumbnail.jpeg17-Jul-2024IMesSe_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-3323.92619517; Eh
thumbnail.jpeg17-Jul-2024IMesSe_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-3325.3075186; Eh
thumbnail.jpeg17-Jul-2024MeO2CCHN2_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-375.920743385; Eh
thumbnail.jpeg17-Jul-2024MeO2CCHN2_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-376.367028; Eh
thumbnail.jpeg17-Jul-2024Ph3P+N2CHCO2Me_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-1410.57609258; Eh
thumbnail.jpeg17-Jul-2024Ph3P+N2CHCO2Me_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1411.962468; Eh
thumbnail.jpeg17-Jul-2024Ph3PN2CHCO2Me_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-1410.58618333; Eh
thumbnail.jpeg17-Jul-2024Ph3PN2CHCO2Me_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-1411.9835422; Eh
thumbnail.jpeg17-Jul-2024PPh3+IMesSe_svpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15GENECP-4358.59634182; Eh
thumbnail.jpeg17-Jul-2024PPh3+IMesSe_tzvpdNelson, DavidGaussian; 16; ES64L-G16RevC.01Single point StructureRMN15GENECP-4360.9048405; Eh
Showing results 1 to 20 of 34  next >