Browsing by Author Guo, Wentao

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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_CA_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4280.74246068; 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_cis_TS2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-4280.76862866; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_CT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4280.75404494; 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_fragmentationGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-4280.81033971; 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/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_TA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4280.74577441; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_trans_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-4280.84268342; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_trans_TS2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-4280.77041309; 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/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_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_CA_VTS1Guo, WentaoGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYPGENECP-4320.06132602; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_cis_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGENECP-4320.15502039; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_cis_TS2Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPGENECP-4320.08731113; 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/Bach_iPr_system Bach_iPr_CT_VTS1Guo, WentaoGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYP6-31G(D) LANL2DZ GENECP-4320.07227433; Eh