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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Feb-2023 | PT13_low_39 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6423549; Eh | |||
| 20-Feb-2023 | PT13_low_40 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6462508; Eh | |||
| 20-Feb-2023 | PT13_high_1 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6124498; Eh | |||
| 20-Feb-2023 | PT13_low_34 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6443197; Eh | |||
| 20-Feb-2023 | PT13_high_21 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6444177; Eh | |||
| 20-Feb-2023 | PT13_high_19 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6126869; Eh | |||
| 20-Feb-2023 | PT13_high_23 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.5977636; Eh | |||
| 20-Feb-2023 | PT13_high_22 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6220722; Eh | |||
| 20-Feb-2023 | PT13_high_20 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3316.6140083; Eh | |||
| 20-Feb-2023 | PT2_low_33 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3917.2411085; Eh |
Results 11-20 of 273 (Search time: 0.001 seconds).
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- 273 RCAM-B3LYP
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