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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aaaaGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-11163.2511410; Eh
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aaabGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-11163.2330458; Eh
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_CA_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4319.9902614; Eh
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