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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2022IM7Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1096.62643732; Eh
thumbnail.jpeg30-May-2022IM1Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1207.72645697; Eh
thumbnail.jpeg30-May-2022IM0Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1207.74237156; Eh
thumbnail.jpeg30-May-2022IM3Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-978.765751371; Eh
thumbnail.jpeg5-Jun-2022IM1-dash-freqPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1664.74979753; Eh
thumbnail.jpeg5-Jun-2022TS2Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1875.96989634; Eh
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