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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
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_A/Triplet 1-PyridineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-248.0550167; Eh
thumbnail.jpeg/GROUP_A/Triplet 2-PhosphorineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-534.670318; Eh
thumbnail.jpeg/GROUP_A/Triplet 3-Phenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-231.4240018; Eh
thumbnail.jpeg/GROUP_A/Triplet 4-Silaphenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-482.8651586; Eh
thumbnail.jpeg/GROUP_A/Triplet 5-PyryliumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-268.1912496; Eh
thumbnail.jpeg/GROUP_A/Triplet 6-ThiopyryliumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-591.1989636; 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
thumbnail.jpeg/GROUP_B/Triplet 10-1,2-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-550.7498068; Eh
thumbnail.jpeg/GROUP_B/Triplet 11-1,3-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-550.7309648; Eh
thumbnail.jpeg/GROUP_B/Triplet 12-1,4-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-550.7356223; Eh
thumbnail.jpeg/GROUP_B/Triplet 13-1,4-Oxazin-1-iumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-284.3232189; Eh
thumbnail.jpeg/GROUP_B/Triplet 14-Pyridine_anion(4-C-1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-247.4913845; Eh
thumbnail.jpeg/GROUP_B/Triplet 15-1,4-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-304.1917376; Eh
thumbnail.jpeg/GROUP_B/Triplet 16-1,3-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-304.1586072; Eh
/GROUP_B/Triplet 17-Phenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-230.6069151; Eh
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