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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_CA_VTS1Guo, WentaoGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYPGENECP-4320.06132602; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CA_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95318301; Eh
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_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 21-30 of 69 (Search time: 0.001 seconds).