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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021TOL_TSDCOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.25817236; Eh
thumbnail.jpeg11-Mar-2021TOL_TSN2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2421.78496239; Eh
thumbnail.jpeg20-Nov-2021simnh2-pdph3Morán, LucíaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G* SDD GENECP-698.545399667; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3c6h5-sh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-670.465399720; Eh
thumbnail.jpeg11-Mar-2021DCM_TS4Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.26852936; Eh
thumbnail.jpeg11-Mar-2021DCM_TSDCO3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27972372; Eh
thumbnail.jpeg11-Mar-2021DCM_TSDCO2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.28176016; Eh
thumbnail.jpeg11-Mar-2021DCM_TSDCOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27070328; Eh
thumbnail.jpeg11-Mar-2021TOL_TSHOMOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2787.03968098; Eh
thumbnail.jpeg11-Mar-2021TOL_TS5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.25881089; Eh
Results 1271-1280 of 1688 (Search time: 0.004 seconds).