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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/TA_TT_energy_study Bach_iPr_TT_TS1_ClGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-2208.86302262; 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/TA_TT_energy_study Bach_iPr_TT_TS1_IGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1760.04747621; 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_cis_TS2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-4280.76862866; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_CT_TS2Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-14577.8788407; Eh
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_SMGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1760.04747621; Eh
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