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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/Rh2(OAc)4_system TS5_Ph-trans-chair-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21898435; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-trans-chair-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21246838; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS5_Ph-trans-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21839943; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-trans-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.21260311; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_TS0_abbb_transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-5625.16797090; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_TS0_aabb2_transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-5625.17649103; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_TS0_aabb2_cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-5625.18364187; Eh
thumbnail.jpeg9-Jan-2024/model_system TS4_H-cis-chair-in-highGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.80239977; Eh
thumbnail.jpeg9-Jan-2024/model_system TS7_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.82305382; Eh
Results 61-70 of 87 (Search time: 0.002 seconds).