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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 TS2NPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D,P)-772.651353716; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 TS2WWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D,P)-711.835861501; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D,P)-213.658816439; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 IminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D,P)-482.618647754; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 TS2NWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D,P)-849.086753965; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 HemiaminalPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D,P)-559.031851955; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D,P)-558.966503009; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 BenzanaldehydePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D,P)-345.362117462; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(D,P)-76.4063652861; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m06 TS2WPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G(D,P)-635.405568359; Eh
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