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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2022AcOHPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-228.914750822; Eh
thumbnail.jpeg30-May-2022ArenePrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-479.045285911; Eh
thumbnail.jpeg30-May-2022Side_ProductPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-379.624379165; Eh
thumbnail.jpeg30-May-2022TS1Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-1207.71800786; Eh
thumbnail.jpeg30-May-2022OlefinPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-496.256615874; Eh
thumbnail.jpeg30-May-2022ProductPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-595.687909087; Eh
thumbnail.jpeg30-May-2022TS5Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-1096.62195861; Eh
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