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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Feb-2024/Geometry_benchmark SubPc-B3LYPEscayola, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVTZ-1735.95934345; Eh
thumbnail.jpeg1-Feb-2024/Geometry_benchmark SubPc-TPSSHEscayola, SilviaGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRTPSShCC-PVTZ-1736.05664501; Eh
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