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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_CA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSUB3LYPGENECP-4547.70286054; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CA_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95318301; Eh
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_CT_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4320.0206186; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_CT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-14577.8685222; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_TA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGENECP-4320.06430740; 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_SMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-4280.77919553; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_TA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31G(D) LANL2DZ GENECP-4355.95519365; 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
Results 241-250 of 256 (Search time: 0.003 seconds).