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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /GROUP_B/Singlet 7-Pyridazine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | RCAM-B3LYP | 6-311+G(D,P) | -264.2209043; Eh | ||
 | /GROUP_B/Singlet 8-Pyrimidine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | RCAM-B3LYP | 6-311+G(D,P) | -264.2589063; Eh | ||
 | /GROUP_B/Singlet 9-Pyrazine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | RCAM-B3LYP | 6-311+G(D,P) | -264.2516565; Eh | ||
 | /GROUP_B/Triplet 7-Pyridazine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | UCAM-B3LYP | 6-311+G(D,P) | -264.1123428; Eh | ||
 | /GROUP_B/Triplet 8-Pyrimidine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | UCAM-B3LYP | 6-311+G(D,P) | -264.1072627; Eh | ||
 | /GROUP_B/Triplet 9-Pyrazine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | UCAM-B3LYP | 6-311+G(D,P) | -264.119896; Eh |
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