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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_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_INTHOMOBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2787.04601997; 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
Results 111-118 of 118 (Search time: 0.001 seconds).