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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 4a(-)_open_tpss_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSSTPSSDEF2TZVP-2954.2403492; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System 4a(-)_open_tpssh_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2TZVP-2953.987258; 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(+)_b3lyp_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUB3LYPDEF2SVP DEF2TZVP/GEN-1650.8620472; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System Fc(+)_tpss_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSSTPSSDEF2SVP DEF2TZVP/GEN-1651.914423; 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_tpssh_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2TZVP-1651.0841395; 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/Benchmarking_for_Open_System Fc(+)_tpss_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSSTPSSDEF2TZVP-1651.0031583; Eh
Results 101-110 of 115 (Search time: 0.001 seconds).