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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Mar-2021DCM_N2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-109.521919829; Eh
thumbnail.jpeg11-Mar-2021TOL_metallocarbene6Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2312.27930916; Eh
thumbnail.jpeg11-Mar-2021TOL_metallocarbene7Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2198.97560717; Eh
thumbnail.jpeg11-Mar-2021TOL_pyrrolidinone3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-365.308626735; Eh
thumbnail.jpeg11-Mar-2021TOL_azetidinone4Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-365.284841007; Eh
thumbnail.jpeg11-Mar-2021TOL_olefin5Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) GEN-730.590397992; Eh
thumbnail.jpeg11-Mar-2021DCM_TSCC_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.07407266; Eh
thumbnail.jpeg11-Mar-2021DCM_CuCOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2060.39474398; 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_INTCC1_BS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* 6-31G LANL2DZ GEN-4508.09059140; Eh
Results 281-290 of 311 (Search time: 0.002 seconds).