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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_TT_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31G(D) LANL2DZ GENECP-4280.75803645; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_trans_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4356.05401355; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_cis_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4356.04632807; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_TT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4280.75795019; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_fragmentationGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4356.02467828; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_trans_TS2Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSUB3LYPGEN-4355.98072568; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_cis_TS2Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSUB3LYPGEN-4355.97960840; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95318301; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_SMGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4355.98891911; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_TT_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYP6-31G(D) LANL2DZ GENECP-4320.07666870; Eh
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