Search

Current filters:
Add filters:
  • previous
  • 1
  • next
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_C/Singlet 20Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-1907.9842999; Eh
thumbnail.jpeg/GROUP_C/Singlet 21Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-2250.2715247; 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_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
thumbnail.jpeg/GROUP_B/Singlet 10-1,2-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-550.8724745; Eh
thumbnail.jpeg/GROUP_B/Singlet 11-1,3-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-550.8630972; Eh
thumbnail.jpeg/GROUP_B/Singlet 12-1,4-AzaphosphinineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-550.8665716; Eh
thumbnail.jpeg/GROUP_B/Singlet 13-1,4-Oxazin-1-iumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-284.4128353; Eh
thumbnail.jpeg/GROUP_B/Singlet 14-Pyridine_anion(4-C-1)Escayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-247.5790702; Eh
thumbnail.jpeg/GROUP_B/Singlet 15-1,4-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-304.362809; Eh
thumbnail.jpeg/GROUP_B/Singlet 16-1,3-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-304.362809; Eh
/GROUP_B/Singlet 17-Phenyl_AnionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01RCAM-B3LYP6-311+G(D,P)-230.7192751; Eh
  • previous
  • 1
  • next
Results 1-24 of 24 (Search time: 0.003 seconds).