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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_TS5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2312.27130014; 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_INTCC2_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.10094826; 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-2021DCM_INTDiazoBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2421.82507113; 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_olefin5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-730.596966270; Eh
thumbnail.jpeg11-Mar-2021DCM_DiazoBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-474.750581544; 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).