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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jan-2024/model_system TS5_H-trans-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.80665309; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-trans-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.81328645; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-cis-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.81240546; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-trans-boat-inGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.80658558; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-cis-boat-inGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.80991000; Eh
thumbnail.jpeg9-Jan-2024/model_system TS7_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.82305382; Eh
thumbnail.jpeg9-Jan-2024/model_system TS6_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.82249047; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS1_PhGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D)-685.102639042; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS5_Ph-trans-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21052474; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-trans-boat-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.20613666; Eh
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