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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 15-1,4-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-304.1917376; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 14-Pyridine_anion(4-C-1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-247.4913845; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 10-1,2-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-550.7498068; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 13-1,4-Oxazin-1-iumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-284.3232189; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 9-PyrazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.119896; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 8-PyrimidineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.1072627; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 12-1,4-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-550.7356223; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 11-1,3-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-550.7309648; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 16-1,3-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-304.1586072; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 7-PyridazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.1123428; Eh
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