Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 9-5MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-225.974037; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 5-6MR_carbene_analog(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-234.8545833; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 4-6MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-248.0739321; Eh
thumbnail.jpeg3-Feb-2025/triplet_(3npi_)_states 2-6MR_carbene_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-248.0625633; 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/singlet_(S_0)_states 22-3MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-366.8000059; Eh
thumbnail.jpeg3-Feb-2025/singlet_(S_0)_states 23-3MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevC.01Single point StructureRCAM-B3LYP6-311+G(D,P)-418.3817208; 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/singlet_(S_0)_states 20-3MR_carbene_analog_(Figure1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P)-102.0993429; Eh
Results 31-40 of 60 (Search time: 0.001 seconds).