Search

Current filters:
Add filters:
Item hits:
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/GROUP_B/Singlet 17-1,4-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-230.7192751; Eh
thumbnail.jpeg/GROUP_B/Singlet 18-1,3-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-230.7128892; Eh
thumbnail.jpeg/GROUP_B/Singlet 19-1,4-DiphosphorinEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-837.4772594; Eh
thumbnail.jpeg/GROUP_B/Singlet 9H+-Pyrazine_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-264.5947576; Eh
thumbnail.jpeg/GROUP_B/Singlet 19H+-1,4-Diphosphorin_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-837.789036; Eh
thumbnail.jpeg/GROUP_B/Triplet 17-1,4-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-230.6069151; Eh
thumbnail.jpeg/GROUP_B/Triplet 18-1,3-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-230.6118992; Eh
thumbnail.jpeg/GROUP_B/Triplet 19-1,4-DiphosphorinEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-837.2852678; Eh
thumbnail.jpeg/GROUP_B/Triplet 9H+-Pyrazine_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-264.4853656; Eh
thumbnail.jpeg/GROUP_B/Triplet 19H+-1,4-Diphosphorin_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-837.6646639; Eh
thumbnail.jpeg/GROUP_A/Singlet 1-PyridineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-248.2131081; Eh
thumbnail.jpeg/GROUP_A/Singlet 2-PhosphorineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-534.8254653; Eh
thumbnail.jpeg/GROUP_A/Singlet 3-Phenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-231.5195024; Eh
thumbnail.jpeg/GROUP_A/Singlet 4-Silaphenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-482.9708305; Eh
thumbnail.jpeg/GROUP_A/Singlet 5-PyryliumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-268.4040382; Eh
thumbnail.jpeg/GROUP_A/Singlet 6-ThiopyryliumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-268.4040382; Eh
thumbnail.jpeg/GROUP_A/Triplet 1-PyridineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-248.0550167; Eh
thumbnail.jpeg/GROUP_A/Triplet 2-PhosphorineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-534.670318; Eh
thumbnail.jpeg/GROUP_A/Triplet 3-Phenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-231.4240018; Eh
thumbnail.jpeg/GROUP_A/Triplet 4-Silaphenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-482.8651586; Eh
thumbnail.jpeg/GROUP_A/Triplet 5-PyryliumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-268.1912496; Eh
thumbnail.jpeg/GROUP_A/Triplet 6-ThiopyryliumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01UCAM-B3LYP6-311+G(D,P)-591.1989636; Eh
thumbnail.jpeg/GROUP_B/Singlet 7-PyridazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-264.2209043; Eh
thumbnail.jpeg/GROUP_B/Singlet 8-PyrimidineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-264.2589063; Eh
thumbnail.jpeg/GROUP_B/Singlet 9-PyrazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-264.2516565; Eh
Results 1-25 of 44 (Search time: 0.002 seconds).