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 | Holo2cis_6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21367682367998; Eh | ||||
1-Feb-2023 | Holo2cis_7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20250425344; 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_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_2 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3690927; Eh | ||||
1-Feb-2023 | Holo2transA_EET_7 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3635399; Eh | ||||
1-Feb-2023 | Holo2transA_EET_5 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3684538; Eh | ||||
1-Feb-2023 | Holo2transA_EET_6 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3684443; Eh | ||||
1-Feb-2023 | Holo2transA_EET_3 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3703691; Eh | ||||
1-Feb-2023 | Holo2transA_EET_4 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.368115; Eh |
Results 1-10 of 401 (Search time: 0.001 seconds).
Discover
Subject
Method
- 325 RCAM-B3LYP
- 325 TD-FC