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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/Bach_eth_system Bach_eth_CT_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4280.75412256; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_TA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4280.74571670; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_SMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-4280.77919553; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CA_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95318301; 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_TA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31G(D) LANL2DZ GENECP-4355.95519365; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4355.96350868; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CT_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4355.96355296; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_TT_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4355.96659733; Eh
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