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_EET_4 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3797612; Eh | ||||
1-Feb-2023 | Holo2transB_EET_5 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3858887; Eh | ||||
1-Feb-2023 | Holo2transB_EET_2 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3756967; 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 | Holo2transB_EET_7 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3745768; Eh | ||||
1-Feb-2023 | Holo2transB_EET_8 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3683557; Eh | ||||
1-Feb-2023 | Holo2transB_EET_9 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3805364; Eh | ||||
1-Feb-2023 | Holo2transB_EET_6 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3774641; Eh | ||||
1-Feb-2023 | Holo1_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.13225788736; Eh |
Results 51-60 of 401 (Search time: 0.002 seconds).
Discover
Subject
Method
- 325 RCAM-B3LYP
- 325 TD-FC