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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Oct-2017/Keggin_POM_catalyst/Gaussian_Benchmark TSepim-BP86_TZPRellán, MarcosGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311G*-51770.8598705; Eh
thumbnail.jpeg24-Oct-2017/Keggin_POM_catalyst/Gaussian_Benchmark Mdiss-BP86_TZPRellán, MarcosGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311G*-51770.8995212; Eh
thumbnail.jpeg24-Oct-2017/Keggin_POM_catalyst/Gaussian_Benchmark Gdiss-BP86_TZPRellán, MarcosGaussian; 09; EM64L-G09RevD.01Single point StructureRBP866-311G*-51770.8990113; Eh
thumbnail.jpeg27-Mar-2017Mo7O24_red_optMelgar, DoloresGaussian; 09; EM64L-G09RevA.02Geometry optimization StructureRBP86--2281.38519234; Eh
thumbnail.jpeg27-Mar-2017Mo7O24_red_ramanMelgar, DoloresGaussian; 09; EM64L-G09RevA.02Single point StructureRBP86--2281.38519234; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 TS2WPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31+G(D,P)-635.881560308; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 BenzanaldehydePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-345.612329564; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-213.832127461; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 TS2NPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31+G(D,P)-773.268573137; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-76.4423603809; Eh
Results 1-10 of 243 (Search time: 0.001 seconds).