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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021TOL_TSCC_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.05743488; Eh
thumbnail.jpeg11-Mar-2021DCM_TSHOMOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2787.05254444; Eh
thumbnail.jpeg11-Mar-2021DCM_TS5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27130014; Eh
thumbnail.jpeg11-Mar-2021DCM_TSN2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2421.79589091; Eh
thumbnail.jpeg11-Mar-2021TOL_TSDCO3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27109816; Eh
thumbnail.jpeg11-Mar-2021TOL_TSDCO2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27188179; Eh
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.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
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