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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Nov-2022/Endo_Ns TS-16Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3688.5493688; Eh
thumbnail.jpeg22-Nov-2022/Endo_Ns TS-21Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.8309501; Eh
thumbnail.jpeg22-Nov-2022/Endo_Ns TS-19Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3689.0387836; Eh
thumbnail.jpeg22-Nov-2022/Endo_Ns TS-17Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.3387855; Eh
thumbnail.jpeg22-Nov-2022/Endo_Ns 6a(+)-NsLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.8559042; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System 4a_open_b3lyp_ILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2SVP DEF2TZVP/GEN-2953.7872478; Eh
thumbnail.jpeg22-Nov-2022/Benchmarking_for_Open_System 4a_open_b3lyp_IILuthra, MahikaGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPDEF2TZVP-2953.7872478; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm TS-35Luthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3236.6096073; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm 3a-NmLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3047.3736053; Eh
thumbnail.jpeg22-Nov-2022/Endo_Nm 9a-NmLuthra, MahikaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUTPSShDEF2SVP DEF2TZVP/GEN-3236.6192168; Eh
Results 61-70 of 115 (Search time: 0.002 seconds).