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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2018Compound7Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6267.36901769; Eh
thumbnail.jpeg16-Feb-2018Compound6Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--5979.48907113; Eh
thumbnail.jpeg16-Feb-2018Compound2Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--5979.79875883; Eh
thumbnail.jpeg16-Feb-2018Compound1Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6267.67537170; Eh
thumbnail.jpeg16-Feb-2018Compound4apostrophePoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6168.81239968; Eh
thumbnail.jpeg17-Oct-2017pom2_4Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14558778; Eh
thumbnail.jpeg17-Oct-2017tba_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--686.025411030; Eh
thumbnail.jpeg17-Oct-2017pom1_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14871761; Eh
thumbnail.jpeg17-Oct-2017pom2_6Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.13415150; Eh
thumbnail.jpeg17-Oct-2017pom2_1Sole, AlbertGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--5751.14738637; Eh
Results 31-40 of 120 (Search time: 0.001 seconds).