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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jan-2024/model_system CHCR_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-1553.88315521; Eh
thumbnail.jpeg9-Jan-2024/Rh2(OAc)4_system 2_Ph-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-1708.77876298; Eh
thumbnail.jpeg9-Jan-2024/model_system 1_H_transGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D)-454.033685087; Eh
thumbnail.jpeg9-Jan-2024/model_system 1_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D)-454.035756109; Eh
thumbnail.jpeg9-Jan-2024/model_system 2_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-1320.36906575; 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 3_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-1553.81237281; 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_aabb2_transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-5515.68589488; Eh
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