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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/Extra_Calculations/DFTAnalysis_Concerted_TS_CC/wB97xD/Frozen_CO2_FAIL Frozen_CO2_FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2102.85891321; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/Aldehyde/Int/No_H No_HGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.92874871; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/Aldehyde/Int IntGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.94676310; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Scan2_2/Next NextGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.267535894; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Scan2_2 Scan2_2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.264959142; Eh
thumbnail.jpeg19-May-2020TS5_1Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1776.01017940; Eh
thumbnail.jpeg19-May-2020TS6_1Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1775.99516281; Eh
thumbnail.jpeg19-May-2020AcImVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-378.857579692; Eh
thumbnail.jpeg19-May-20205MCC-O-2_(with_TBD-H(+)_and_AcIm)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.02135116; Eh
thumbnail.jpeg19-May-20205MCC-OAc_(with_TBD_and_Im-H)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.02885944; Eh
Results 441-450 of 469 (Search time: 0.002 seconds).