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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Oct-2021Cu_tfmvs_amJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-3615.80121894; Eh
thumbnail.jpeg1-Oct-2021TS2_C_tfmbJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRB3LYPTZVP-3445.57329374; Eh
thumbnail.jpeg1-Oct-2021tfmb_9BBN_amJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-794.066182695; Eh
thumbnail.jpeg1-Oct-2021tfmb_9BBN_mJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-794.064931275; Eh
thumbnail.jpeg1-Oct-2021tfmbJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRB3LYPTZVP-455.145214535; 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_TSHOMOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-2787.05254444; 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
Results 6201-6210 of 7160 (Search time: 0.006 seconds).