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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022/Endo_Nm TS-34Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP-3874.66819543; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System Fc_b3lyp_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2SVP DEF2TZVP/GEN-1651.0227556; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System Fc_b3lyp_IILuthra, MahikaGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPDEF2SVP DEF2TZVP-1651.0227555; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System Fc_tpss_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRTPSSTPSSDEF2SVP DEF2TZVP/GEN-1652.0793832; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System Fc_tpss_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureRTPSSTPSSDEF2TZVP-1651.1692858; Eh
thumbnail.jpeg22-Nov-2022/Open_system_calculations 5a-openLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3142.5987336; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm TS-1Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3688.5515132; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm 9a(+)-NmLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3236.525636; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm TS-2Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.3494189; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm 8aLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3236.0546123; Eh
Results 71-80 of 115 (Search time: 0.002 seconds).