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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_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 | Holo2transB_EET_13 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3747149; Eh | ||||
1-Feb-2023 | Holo2transB_EET_10 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3838168; Eh | ||||
1-Feb-2023 | Holo2transB_EET_11 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3774588; Eh | ||||
1-Feb-2023 | Holo2transB_EET_12 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.373996; Eh | ||||
1-Feb-2023 | Holo2transA_EET_16 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3730564; Eh | ||||
1-Feb-2023 | Holo1_11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.10073217664; Eh | ||||
1-Feb-2023 | Holo1_10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.12301676032; Eh | ||||
1-Feb-2023 | Holo1_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.12267445504; Eh |
Results 71-80 of 99 (Search time: 0.001 seconds).