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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/Bach_iPr_system Bach_iPr_TT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07636395; Eh
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aabbGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-11163.2331822; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_TT_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYP6-31G(D) LANL2DZ GENECP-4320.07666870; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_CT_TS2Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-14577.8788407; Eh
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