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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_low_37 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3376125; Eh | ||||
20-Feb-2023 | PT11_low_36 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3359296; Eh | ||||
20-Feb-2023 | PT11_low_31 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3323454; Eh | ||||
20-Feb-2023 | PT11_low_34 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3345455; Eh | ||||
20-Feb-2023 | PT11_low_35 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3319259; Eh | ||||
20-Feb-2023 | PT11_low_30 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3324927; Eh | ||||
20-Feb-2023 | PT11_high_12 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3062443; Eh | ||||
20-Feb-2023 | PT11_high_5 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3424235; Eh | ||||
20-Feb-2023 | PT11_high_7 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.3196582; Eh | ||||
20-Feb-2023 | PT11_high_13 | Curti, Mariano | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP; TD-FC | 6-31G(D) | -3459.2776731; Eh |
Results 101-110 of 273 (Search time: 0.002 seconds).