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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_CA_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4319.9902614; Eh
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_TT_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4320.0249288; Eh
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_TA_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4320.0069819; Eh
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_CT_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4320.0206186; Eh
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