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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-May-2022TS4Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1096.60843367; Eh
thumbnail.jpeg30-May-2022Zn(OAc)2Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-2235.91965262; Eh
thumbnail.jpeg30-May-2022Olefin-ZincPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-2614.59907993; Eh
thumbnail.jpeg30-May-2022CatalystPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-728.618374221; Eh
thumbnail.jpeg30-May-2022IM10Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1096.63203448; Eh
thumbnail.jpeg30-May-2022IM9Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1096.62497790; Eh
thumbnail.jpeg30-May-2022IM8Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1096.64456396; Eh
thumbnail.jpeg30-May-2022IM4Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-3711.05661572; Eh
thumbnail.jpeg30-May-2022IM5Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-3711.07011845; Eh
thumbnail.jpeg30-May-2022IM2Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1207.74037676; Eh
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