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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2023/GROUP_B/Singlet 18-1,3-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-230.7128892; Eh
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.jpeg26-Mar-2023/GROUP_B/Triplet 19-1,4-DiphosphorinEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-837.2852678; Eh
thumbnail.jpeg26-Mar-2023/GROUP_B/Singlet 9H+-Pyrazine_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-264.5947576; Eh
Login required3-Feb-2025/triplet_(3npi_)_states 23-3MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevC.01Single point StructureUCAM-B3LYP6-311+G(D,P)-418.2451215; Eh
Login required3-Feb-2025/triplet_(3npi_)_states 20-3MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-102.0238732; Eh
Login required3-Feb-2025/triplet_(3npi_)_states 22-3MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-366.683761; Eh
Login required3-Feb-2025/triplet_(3npi_)_states 21-3MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-131.5585019; Eh
Login required3-Feb-2025/triplet_(3npi_)_states 17-5MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-477.4728309; Eh
Login required3-Feb-2025/triplet_(3npi_)_states 18-5MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-529.0224584; Eh
Results 31-40 of 370 (Search time: 0.001 seconds).