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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_cis_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPGENECP-14577.9435546; Eh
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_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_CT_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4280.75412256; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_trans_TS2Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPGENECP-4547.72387225; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_TT_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYPGENECP-4547.71836310; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_CT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPGENECP-4547.71113927; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_TT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4355.96656123; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TA_TS1_IGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1760.03506717; Eh
Results 201-210 of 256 (Search time: 0.002 seconds).