Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2023 | Holo2transA_0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.09376288832; Eh | ||||
1-Feb-2023 | Holo2cis_10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.25391745472; Eh | ||||
1-Feb-2023 | Holo2cis_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21051368704; Eh | ||||
1-Feb-2023 | Holo2cis_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.22880534656; Eh | ||||
1-Feb-2023 | Holo2cis_11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.2434121248; Eh | ||||
1-Feb-2023 | Holo2transB_7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.96982800895998; Eh | ||||
1-Feb-2023 | Holo2transB_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -170.01667140288; Eh | ||||
1-Feb-2023 | Holo2transB_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -170.0020743456; 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 | Holo2transA_EET_13 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3717401; Eh |
Results 61-70 of 99 (Search time: 0.001 seconds).