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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/fDavies_Ph fDavies_Ph_TT_TS2Guo, WentaoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGENECP-14577.8843920; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_CA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4547.70312870; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_trans_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGENECP-14577.9342630; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_CA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-14577.8586183; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CA_VTS1Guo, WentaoGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYPGENECP-4320.06132602; 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/Davies_Me Davies_Me_TT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4355.96656123; 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/Davies_Me Davies_Me_CT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4355.96350868; Eh
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