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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021DCM_metallocarbene6_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G LANL2DZ GEN-2197.37477054; 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_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_TSDCO3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27109816; 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-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
thumbnail.jpeg11-Mar-2021TOL_N2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-109.521440025; Eh
Results 4301-4310 of 4310 (Search time: 0.004 seconds).