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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Feb-2023 | PT11_high_24 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.2876475; Eh | |||
| 20-Feb-2023 | PT11_high_25 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.2897212; Eh | |||
| 20-Feb-2023 | PT11_high_26 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.2746827; Eh | |||
| 20-Feb-2023 | PT13_low_7 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6507896; Eh | |||
| 20-Feb-2023 | PT13_low_5 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6453493; Eh | |||
| 20-Feb-2023 | PT13_low_4 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6453539; Eh | |||
| 20-Feb-2023 | PT13_low_8 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.648368; Eh | |||
| 20-Feb-2023 | PT13_low_2 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6456116; Eh | |||
| 20-Feb-2023 | PT13_low_3 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6539715; Eh | |||
| 20-Feb-2023 | PT13_low_1 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6460697; Eh |
Results 271-280 of 286 (Search time: 0.001 seconds).