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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Feb-2023 | PT2_low_32 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2471453; Eh | |||
| 20-Feb-2023 | PT2_high_17 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.1855536; Eh | |||
| 20-Feb-2023 | PT2_high_14 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2240778; Eh | |||
| 20-Feb-2023 | PT2_high_15 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2324039; Eh | |||
| 20-Feb-2023 | PT2_high_18 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2375297; Eh | |||
| 20-Feb-2023 | PT2_high_19 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2210917; Eh | |||
| 20-Feb-2023 | PT2_high_12 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2018941; Eh | |||
| 20-Feb-2023 | PT2_high_16 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2188016; Eh | |||
| 20-Feb-2023 | PT2_high_11 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2179903; Eh | |||
| 20-Feb-2023 | PT2_high_13 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2289705; Eh |
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