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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jun-2024 | anthocyanin-model-neutralquinonoidalbase-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -878.425658; Eh | |||
 | 15-Jun-2024 | anthocyanin-model-flavyliumcation-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -878.8789736; Eh | |||
 | 15-Jun-2024 | azo-orangeIV-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -1644.7461317; Eh | |||
 | 15-Jun-2024 | aza-blue-dye-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -2708.076699; Eh | |||
 | 15-Jun-2024 | aza-mordant-red-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -2329.1050371; Eh | |||
 | 15-Jun-2024 | cyanidin-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -1029.3476404; Eh | |||
 | 15-Jun-2024 | alizarin-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -839.1795482; Eh |
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