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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022/Endo_Nm TS-9Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3877.7037754; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm TS-33Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3235.546194; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System 4a(-)_open_tpssh_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-2953.987258; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System 4a_open_tpssh_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-2953.8948011; Eh
thumbnail.jpeg22-Nov-2022/Endo_Ns TS-25Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.9350153; Eh
thumbnail.jpeg22-Nov-2022/Endo_Ns 3a-NsLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.3771472; Eh
thumbnail.jpeg22-Nov-2022/Endo_Ns 6a-NsLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.948894; Eh
thumbnail.jpeg22-Nov-2022/Open_system_calculations 2a(-)-openLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-2953.4067931; Eh
thumbnail.jpeg22-Nov-2022/Endo_Ns TS-24Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3689.1312387; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm TS-12Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3689.1328866; Eh
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