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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021TS-CO2RR_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUwB97XDLANL2DZ 6-31G(D,P) GENECP-1528.42346297; Eh
thumbnail.jpeg30-Sep-2021RhI-HCp_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1339.82312061; Eh
thumbnail.jpeg30-Sep-2021RhI-HCp-1e_EMIMSolé-Daura, AlbertGaussian; 16; ES64L-G16RevC.01Single point StructureUwB97XDGENECP-
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TT_TS1_CBr3_logGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPGENECP-9500.96821431; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TT_TS1_SiH3Guo, WentaoGaussian; 16; AS64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-2039.96302181; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_fragmentationGuo, WentaoGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPGENECP-14577.9156360; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TA_TS1_ClGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-2208.85244919; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TT_TS1_MeGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1788.59038386; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_cis_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPGENECP-4280.84064246; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_trans_lactoneGuo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumUB3LYPGEN-4356.05401355; Eh
Results 171-180 of 256 (Search time: 0.004 seconds).