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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Jun-2024 | 66-dibromoindigo-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -6022.9566999; Eh | |||
 | 15-Jun-2024 | 55-dibromoindigo-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -6022.9548581; Eh | |||
 | 15-Jun-2024 | 66-dicloroindigo-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -1794.8534881; Eh | |||
 | 15-Jun-2024 | 6-bromoindigo-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -3449.276585; Eh | |||
 | 15-Jun-2024 | indigo-chromophore-conf2-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -415.9602854; Eh | |||
 | 15-Jun-2024 | indigo-chromophore-conf1-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -415.9589045; Eh | |||
 | 15-Jun-2024 | indigo-chromophore-conf3-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -415.9603354; Eh | |||
 | 15-Jun-2024 | pelargonidin-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -954.108873; Eh | |||
 | 15-Jun-2024 | delphinidin-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -1143.8745464; Eh | |||
 | 15-Jun-2024 | indigo-tddft | Nieto Faza, Olalla | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | DEF2TZVPP | -875.5964138; Eh |
Results 1-10 of 21 (Search time: 0.002 seconds).