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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_TA_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4320.0069819; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TA_TS1_SiH3Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPGENECP-2039.96069488; Eh
thumbnail.jpeg20-Jul-2022/TA_TT_energy_study Bach_iPr_TA_TS1_CBr3Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPGENECP-9500.95671670; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_trans_lactoneGuo, WentaoGaussian; 16; ES64L-G16RevC.01Single point StructureRB3LYPGENECP-14577.9342630; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_CA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-14577.8586183; Eh
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aaabGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-11163.2330458; Eh
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aaaaGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-11163.2511410; 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_CA_VTS1Guo, WentaoGaussian; 16; AS64L-G16RevC.01Single point StructureRB3LYPGENECP-4320.06132602; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_CA_VTS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4355.95318301; Eh
Results 191-200 of 256 (Search time: 0.002 seconds).