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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/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_CA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95318301; 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
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CT_VTS1Guo, WentaoGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYP6-31G(D) LANL2DZ GENECP-4320.07227433; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_cis_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPGENECP-4280.84064246; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_CA_TS1_Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4280.74246068; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_CA_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4280.74246068; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_TA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGENECP-4320.06430740; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CA_VTS1Guo, WentaoGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYPGENECP-4320.06132602; Eh
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