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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/fDavies_Ph fDavies_Ph_TA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPGENECP-14577.8430934; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_cis_TS2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-4280.76862866; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_SMGuo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-14577.8882695; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_CA_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-4280.74246068; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c2 ts1c2_FBONIN_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN DEF2TZVPP-2784.4799596; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c3 ts1c3_FBININ_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-2781.39426403; Eh
thumbnail.jpeg5-Oct-2022/template-1/ts1/c6 ts1c6_FBIAIA_t1Fernandez, GilbertoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP; RMN153-21G GEN-2781.40479464; Eh
Results 51-60 of 69 (Search time: 0.001 seconds).