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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 TS9_H-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-1553.81347787; 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 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 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 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 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-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-boat-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21774128; Eh
Results 131-140 of 149 (Search time: 0.002 seconds).