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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-May-2022PhTeF4CF3Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-1236.14387967; Eh
thumbnail.jpeg31-May-2022PhTeF2Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-698.894695267; Eh
thumbnail.jpeg31-May-2022PhTeF5Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-998.499913279; Eh
thumbnail.jpeg31-May-2022Sb3F15Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-2218.00482495; Eh
thumbnail.jpeg31-May-2022Sb3F16Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-2318.07515501; Eh
thumbnail.jpeg31-May-2022Sb2F10Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-1478.67269970; Eh
thumbnail.jpeg31-May-2022Sb2F11Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-1578.72829931; Eh
thumbnail.jpeg31-May-2022TS4_RCPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-2477.18830309; Eh
thumbnail.jpeg31-May-2022TS4Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRPBE1PBEDEF2TZVP-2477.15696455; Eh
thumbnail.jpeg31-May-2022TS5Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRPBE1PBEDEF2SVP-3213.56188496; Eh
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