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 | Holo2transB_2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.97626886208; Eh | ||||
1-Feb-2023 | Holo4_11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.57057418815998; Eh | ||||
1-Feb-2023 | Holo4_10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.59984734527998; Eh | ||||
1-Feb-2023 | Holo2cis_EET_10 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3839741; 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_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 | ||||
1-Feb-2023 | Holo2cis_5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20953218879998; Eh |
Results 11-20 of 99 (Search time: 0.002 seconds).