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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | alpha4_antiparallel_2chroms_EET6 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3640152; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET2 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3706521; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_EET4 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3849725; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md9 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.39176477951997; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md10 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.41655322751998; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md8 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40039507967998; Eh |
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Subject
- 136 Photosynthesis
- 108 Protein Design
- 28 Protein design
Calculation type
Method
- 8 RCAM-B3LYP
- 8 TD-FC