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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_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_TA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95512276; 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_Ph Davies_Ph_CA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4547.70312870; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_CT_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4547.71118061; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TT_TS1_CBr3_logGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPGENECP-9500.96821431; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TA_TS1_SiH3Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPGENECP-2039.96069488; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TA_TS1_CBr3Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPGENECP-9500.95671670; Eh
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