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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2023/GROUP_C/Singlet 20Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-1907.9842999; 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/Singlet 10-1,2-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-550.8724745; Eh
thumbnail.jpeg21-Mar-2023/GROUP_A/Triplet 4-Silaphenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-482.8651586; Eh
thumbnail.jpeg21-Mar-2023/GROUP_A/Singlet 4-Silaphenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-482.9708305; Eh
thumbnail.jpeg21-Mar-2023/GROUP_A/Singlet 6-ThiopyryliumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-268.4040382; 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.jpeg26-Mar-2023/GROUP_B/Triplet 19H+-1,4-Diphosphorin_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-837.6646639; Eh
thumbnail.jpeg26-Mar-2023/GROUP_C/Triplet 20Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-1907.9798986; Eh
thumbnail.jpeg26-Mar-2023/GROUP_B/Triplet 9H+-Pyrazine_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.4853656; Eh
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