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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_cat_aaabGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-4940.05880149; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_cat_aabbGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-4940.05145099; Eh
thumbnail.jpeg9-Jan-2024/model_system TS4_H-cis-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.80849710; Eh
thumbnail.jpeg9-Jan-2024/model_system rh2hco4_gasGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-975.834325994; Eh
thumbnail.jpeg9-Jan-2024/model_system TS2_H-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1429.87239645; Eh
thumbnail.jpeg9-Jan-2024/model_system TS2_H-cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1429.87167957; Eh
thumbnail.jpeg9-Jan-2024/model_system 2_H-transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-1320.36857311; Eh
thumbnail.jpeg9-Jan-2024/model_system 13_cyclodieneGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYP6-31G(D)-233.426395738; Eh
thumbnail.jpeg9-Jan-2024/model_system TS1_HGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G(D)-454.024971717; Eh
thumbnail.jpeg9-Jan-2024/model_system TS3_HGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-1320.35202621; Eh
Results 121-130 of 185 (Search time: 0.001 seconds).