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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021TS-CO2RR_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) GENECP-1528.42346297; Eh
thumbnail.jpeg30-Sep-2021RhI-HCp_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1339.82312061; Eh
thumbnail.jpeg30-Sep-2021RhI-HCp-1e_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDGENECP-
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_trans_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-4320.15938303; 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_fragmentationGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGENECP-4320.13044882; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_trans_TS2Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-4320.09035170; 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_TT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07636395; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07215131; Eh
Results 171-180 of 256 (Search time: 0.001 seconds).