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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_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_13 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3672964; Eh | ||||
1-Feb-2023 | Holo2transB_EET_1 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3551906; 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 | Holo2transB_EET_15 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3645093; Eh | ||||
1-Feb-2023 | Holo2transA_EET_1 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3699629; Eh | ||||
1-Feb-2023 | Holo2transB_EET_14 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3625913; Eh | ||||
1-Feb-2023 | Holo2transA_EET_2 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3750894; Eh | ||||
1-Feb-2023 | Holo2cis_1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21369690304; Eh | ||||
1-Feb-2023 | Holo2cis_2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20290902784; Eh |
Results 51-60 of 99 (Search time: 0.001 seconds).