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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021DCM_metallocarbene6Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2312.28934831; Eh
thumbnail.jpeg11-Mar-2021DCM_metallocarbene7Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2198.98507083; Eh
thumbnail.jpeg11-Mar-2021DCM_INTDCO2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2312.29968795; Eh
thumbnail.jpeg11-Mar-2021DCM_INTDCO1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2312.28247342; Eh
thumbnail.jpeg11-Mar-2021DCM_CO_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G GEN-113.310181110; Eh
thumbnail.jpeg11-Mar-2021TOL_metallocarbene7_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31+G* 6-31G LANL2DZ GEN-2196.31894013; 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_INTHOMOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2787.04601997; Eh
Results 291-300 of 311 (Search time: 0.013 seconds).