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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2023 | Holo2transA_1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.09808409407998; Eh | ||||
1-Feb-2023 | Holo2transA_3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.08374631552; Eh | ||||
1-Feb-2023 | Holo2transA_2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.07012326656; Eh | ||||
1-Feb-2023 | Holo2cis_0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.22900550271999; Eh | ||||
1-Feb-2023 | Holo2cis_1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21369690304; Eh | ||||
1-Feb-2023 | Holo2transA_11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.07164993535997; Eh | ||||
1-Feb-2023 | Holo2transB_1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -170.01167992895998; Eh | ||||
1-Feb-2023 | Holo2transB_0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.98382172927998; Eh | ||||
1-Feb-2023 | Holo2transB_2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.97626886208; Eh | ||||
1-Feb-2023 | Holo2transA_10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.10935291776; Eh |
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- 60 Amber