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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/GROUP_B/Singlet 7-PyridazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-264.2209043; Eh
thumbnail.jpeg/GROUP_B/Singlet 8-PyrimidineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-264.2589063; Eh
thumbnail.jpeg/GROUP_B/Singlet 9-PyrazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-264.2516565; Eh
thumbnail.jpeg/GROUP_B/Triplet 7-PyridazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-264.1123428; Eh
thumbnail.jpeg/GROUP_B/Triplet 8-PyrimidineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-264.1072627; Eh
thumbnail.jpeg/GROUP_B/Triplet 9-PyrazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-264.119896; Eh
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