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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 9-5MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-225.974037; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 14-5MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-258.153304; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 1-PyridineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-248.0550167; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 7-6MR_carbene_analog(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevA.03Single point StructureUCAM-B3LYP6-311+G(D,P)-499.4975912; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 6-6MR_carbene_analog(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.4853406; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 14-5MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-258.0307462; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 3-6MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-248.0612535; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 19-3MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-115.2025207; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 11-5MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-242.1717372; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 19-3MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-115.3180846; Eh
Results 361-370 of 370 (Search time: 0.001 seconds).