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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021TOL_CO_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G GEN-113.310797768; Eh
thumbnail.jpeg11-Mar-2021DCM_INTHOMOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2787.06035680; Eh
thumbnail.jpeg11-Mar-2021DCM_pyrrolidinone3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-365.312604545; Eh
thumbnail.jpeg11-Mar-2021DCM_azetidinone4Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-365.288824689; Eh
thumbnail.jpeg11-Mar-2021DCM_INTCC3_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.15154266; Eh
thumbnail.jpeg11-Mar-2021TOL_INTDCO1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2312.27217133; Eh
thumbnail.jpeg11-Mar-2021TOL_INTDiazoBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2421.81281832; Eh
thumbnail.jpeg11-Mar-2021TOL_INTDCO2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2312.29071653; Eh
thumbnail.jpeg11-Mar-2021TOL_CUBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-1947.02306159; Eh
thumbnail.jpeg11-Mar-2021TOL_DiazoBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-474.745299153; Eh
Results 301-310 of 311 (Search time: 0.001 seconds).