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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2023 | Holo2cis_7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20250425344; Eh | ||||
1-Feb-2023 | Holo2cis_6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21367682367998; Eh | ||||
1-Feb-2023 | Holo2transB_4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.97715091967999; Eh | ||||
1-Feb-2023 | Holo2transB_5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.98586998336; Eh | ||||
1-Feb-2023 | Holo2transB_3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.997475216; Eh | ||||
1-Feb-2023 | Holo2transB_6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.97518250496; Eh | ||||
1-Feb-2023 | Holo2cis_EET_1 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3748096; Eh | ||||
1-Feb-2023 | Holo2cis_EET_12 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3770609; Eh | ||||
1-Feb-2023 | Holo2cis_EET_11 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.373075; Eh | ||||
1-Feb-2023 | Holo2transB_EET_3 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3797364; Eh |
Results 81-90 of 99 (Search time: 0.001 seconds).