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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/GROUP_B/Singlet 17-1,4-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-230.7192751; Eh
thumbnail.jpeg/GROUP_B/Singlet 18-1,3-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-230.7128892; Eh
thumbnail.jpeg/GROUP_B/Singlet 19-1,4-DiphosphorinEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-837.4772594; Eh
thumbnail.jpeg/GROUP_B/Singlet 9H+-Pyrazine_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-264.5947576; Eh
thumbnail.jpeg/GROUP_B/Singlet 19H+-1,4-Diphosphorin_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-837.789036; Eh
thumbnail.jpeg/GROUP_B/Triplet 17-1,4-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-230.6069151; Eh
thumbnail.jpeg/GROUP_B/Triplet 18-1,3-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-230.6118992; Eh
thumbnail.jpeg/GROUP_B/Triplet 19-1,4-DiphosphorinEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-837.2852678; Eh
thumbnail.jpeg/GROUP_B/Triplet 9H+-Pyrazine_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-264.4853656; Eh
thumbnail.jpeg/GROUP_B/Triplet 19H+-1,4-Diphosphorin_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-837.6646639; Eh
thumbnail.jpeg/GROUP_C/Triplet 20Escayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-1907.9798986; Eh
thumbnail.jpeg/GROUP_C/Triplet 21Escayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-2250.2789122; Eh
thumbnail.jpeg/GROUP_C/Singlet 20Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-1907.9842999; Eh
thumbnail.jpeg/GROUP_C/Singlet 21Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-2250.2715247; Eh
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