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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_TA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4280.74577441; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumUB3LYPGENECP-4320.06127371; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07215131; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_TT_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4355.96659733; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_SMGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGENECP-4547.73206337; 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/Bach_eth_system Bach_eth_fragmentationGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-4280.81033971; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TT_TS1_ClGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-2208.86302262; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TA_TS1_MeGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1788.58315082; Eh
Results 221-230 of 256 (Search time: 0.004 seconds).