Browsing by Subject Excitonic coupling
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2023 | Holo2cis_EET_13 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3672964; Eh | ||||
1-Feb-2023 | Holo2cis_EET_14 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3748773; Eh | ||||
1-Feb-2023 | Holo2cis_EET_15 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3756647; Eh | ||||
1-Feb-2023 | Holo2cis_EET_16 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.366007; Eh | ||||
1-Feb-2023 | Holo2cis_EET_2 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3690927; Eh | ||||
1-Feb-2023 | Holo2cis_EET_3 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3612715; Eh | ||||
1-Feb-2023 | Holo2cis_EET_4 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.366611; Eh | ||||
1-Feb-2023 | Holo2cis_EET_5 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3650892; Eh | ||||
1-Feb-2023 | Holo2cis_EET_6 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3744415; Eh | ||||
1-Feb-2023 | Holo2cis_EET_7 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3771187; Eh | ||||
1-Feb-2023 | Holo2cis_EET_8 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3680259; Eh | ||||
1-Feb-2023 | Holo2cis_EET_9 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.366755; Eh | ||||
1-Feb-2023 | Holo2transA_0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.09376288832; Eh | ||||
1-Feb-2023 | Holo2transA_1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.09808409407998; Eh | ||||
1-Feb-2023 | Holo2transA_10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.10935291776; Eh | ||||
1-Feb-2023 | Holo2transA_11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.07164993535997; Eh | ||||
1-Feb-2023 | Holo2transA_2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.07012326656; Eh | ||||
1-Feb-2023 | Holo2transA_3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.08374631552; Eh | ||||
1-Feb-2023 | Holo2transA_4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.068693648; Eh | ||||
1-Feb-2023 | Holo2transA_5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.08673431552; Eh |