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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jan-2024/model_system TS6_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.82249047; Eh
thumbnail.jpeg9-Jan-2024/model_system TS8_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.82342209; Eh
thumbnail.jpeg9-Jan-2024/model_system TS10_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1553.84055894; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-trans-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.20642863; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS5_Ph-trans-boat-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21072054; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-cis-chair-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21451173; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS5_Ph-cis-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21664554; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-cis-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21426233; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS5_Ph-cis-chair-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21667401; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system 1_Ph-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D)-685.110821505; Eh
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