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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_Rhcarbene_abbb_transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-5515.66878098; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_Rhcarbene_abbb_cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-5515.68209050; 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
thumbnail.jpeg9-Jan-2024/model_system TS6_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.82249047; Eh
thumbnail.jpeg9-Jan-2024/model_system TS8_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.82342209; Eh
thumbnail.jpeg9-Jan-2024/model_system TS10_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1553.84055894; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system TS4_Ph-trans-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYP6-31G(D) LANL2DZ GENECP-1942.20642863; Eh
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