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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jan-2024/model_system TS5_H-cis-chair-outGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.81021148; Eh
thumbnail.jpeg9-Jan-2024/model_system TS4_H-trans-boat-inGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureRB3LYPGENECP-1553.80212171; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-cis-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRB3LYPGENECP-1553.81016789; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS2_Ph-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1818.27250062; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS2_Ph-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1818.27407956; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system 2_Ph-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-1708.77876298; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system 2_Ph-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-1708.78022182; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS3_PhGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1708.74985766; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_TS0_abbb_cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-5625.17377061; Eh
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