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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/triplet_state Bach_iPr_TT_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4320.0249288; 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
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_TT_TS2Guo, WentaoGaussian; 16; ES64L-G16RevB.01Single point StructureRB3LYPGENECP-14577.8843920; Eh
thumbnail.jpeg20-Jul-2022/Bach_eth_system Bach_eth_CT_TS1Guo, WentaoGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYPGENECP-4280.75404494; Eh
thumbnail.jpeg20-Jul-2022/Davies_Ph Davies_Ph_CA_VTS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPGENECP-4547.70312870; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_SMGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1760.04747621; Eh
thumbnail.jpeg20-Jul-2022/Davies_Me Davies_Me_trans_TS2Guo, WentaoGaussian; 09; AM64L-G09RevD.01Geometry optimization TSUB3LYPGEN-4355.98072568; Eh
Results 181-190 of 256 (Search time: 0.001 seconds).