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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Nov-2022/Benchmarking_for_Open_System 4a_open_tpssh_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-2953.8948011; Eh
Login required22-Nov-2022/Benchmarking_for_Open_System 4a(-)_open_tpssh_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-2953.987258; Eh
Login required22-Nov-2022/Benchmarking_for_Open_System 4a(-)_open_tpssh_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2TZVP-2953.987258; Eh
Login required22-Nov-2022/Benchmarking_for_Open_System 4a_open_tpssh_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2TZVP-2953.8945899; Eh
Login required22-Nov-2022/Benchmarking_for_Open_System Fc_tpssh_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2TZVP-1651.0841395; Eh
Login required22-Nov-2022/Endo_Ns 3a-NsLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.3771472; Eh
Login required22-Nov-2022/Endo_Ns TS-25Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.9350153; Eh
Login required22-Nov-2022/Benchmarking_for_Open_System Fc_tpssh_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-1651.0841395; Eh
Login required22-Nov-2022/Benchmarking_for_Open_System Fc(+)_tpssh_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP-1650.89717823; Eh
Login required22-Nov-2022/Benchmarking_for_Open_System Fc(+)_tpssh_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureUTPSShDEF2TZVP-1650.8971782; Eh
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