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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_fragmentationGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGENECP-4547.77588744; 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_fragmentationGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4356.02467828; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_TA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPGENECP-4547.70477871; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_cis_TS2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPGENECP-4547.72715221; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_TA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPGENECP-4547.70477871; 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_SMGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4355.98891911; 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_cis_TS2Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPGENECP-4320.08731113; Eh
Results 211-220 of 256 (Search time: 0.002 seconds).