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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp BenzanaldehydePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-345.690848921; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp NButylaminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-213.888435485; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-76.4666576560; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp HemiaminalPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-559.584580724; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-483.116128145; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp TS2Pérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-559.529599126; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp TS2WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-636.028559868; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-773.442112923; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-849.937296783; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp TS2WWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-712.519524070; Eh
Results 1-10 of 10 (Search time: 0.002 seconds).