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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Mar-2023/GROUP_B/Singlet 13-1,4-Oxazin-1-iumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-284.4128353; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Singlet 15-1,4-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-304.362809; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Singlet 16-1,3-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-304.362809; 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 7-PyridazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.1123428; 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/Triplet 3-Phenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-231.4240018; Eh
thumbnail.jpeg21-Mar-2023/GROUP_A/Triplet 6-ThiopyryliumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-591.1989636; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Singlet 8-PyrimidineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-264.2589063; Eh
Results 21-30 of 64 (Search time: 0.001 seconds).