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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2023 | Holo2transB_10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -170.02471653312; Eh | ||||
1-Feb-2023 | Holo4_2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.55473236991998; Eh | ||||
1-Feb-2023 | Holo4_0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.53767017279998; Eh | ||||
1-Feb-2023 | Holo4_3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.55824450496; Eh | ||||
1-Feb-2023 | Holo4_1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.51730364608; Eh | ||||
1-Feb-2023 | Holo2transB_EET_1 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3551906; Eh | ||||
1-Feb-2023 | Holo2cis_EET_14 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3748773; Eh | ||||
1-Feb-2023 | Holo2cis_EET_15 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3756647; Eh | ||||
1-Feb-2023 | Holo2cis_EET_16 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.366007; Eh |
Results 91-99 of 99 (Search time: 0.002 seconds).