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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system 13_cyclodiene_solGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D)-233.427853728; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_cat_aabbGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-4940.05145099; Eh
thumbnail.jpeg9-Jan-2024/model_system IM_H-trans-chair-in-2Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-1553.82026895; Eh
thumbnail.jpeg9-Jan-2024/model_system IM_H-cis-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-1553.82375674; Eh
thumbnail.jpeg9-Jan-2024/model_system TS11_H-transGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.84207375; Eh
thumbnail.jpeg9-Jan-2024/model_system TS10_H-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1553.83786435; Eh
thumbnail.jpeg9-Jan-2024/model_system TS12_H-trans_Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.82740607; Eh
thumbnail.jpeg9-Jan-2024/model_system TS13_HGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1321.58891254; 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
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS5_Ph-cis-boat-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21774128; Eh
Results 91-100 of 149 (Search time: 0.002 seconds).