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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 10-5MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-226.0977532; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 9-5MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-226.1308831; 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 7-6MR_carbene_analog(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP6-311+G(D,P)-499.579948652; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 6-6MR_carbene_analog(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-264.5947581; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 5-6MR_carbene_analog(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-234.872914; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 3-6MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-248.1188419; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 2-6MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-248.144214; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 4-6MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-248.1174545; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 1-PyridineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-248.2131081; Eh
Results 51-60 of 60 (Search time: 0.001 seconds).