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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021DCM_INTDiazoBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2421.82507113; Eh
thumbnail.jpeg11-Mar-2021TOL_INTCC1_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.06938374; Eh
thumbnail.jpeg11-Mar-2021TOL_INTCC3_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.12963890; Eh
thumbnail.jpeg11-Mar-2021TOL_INTCC2_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.07893487; Eh
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-2021TOL_CuCOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2060.38771653; Eh
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_TSHOMOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2787.05254444; Eh
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-2021TOL_INTHOMObBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2787.04720725; Eh
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