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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS5_Ph-cis-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21759633; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-cis-boat-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21119941; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-cis-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21191530; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-trans-chair-outGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.81347208; Eh
Results 131-140 of 185 (Search time: 0.001 seconds).