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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-76.4423603809; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 HemiaminalPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-559.454204421; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/bp86 IminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31+G(D,P)-483.006284106; Eh
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