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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2023 | Holo1_3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.11464318912; Eh | ||||
1-Feb-2023 | Holo1_0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.09833938624; 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 | Holo1_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.13225788736; Eh | ||||
1-Feb-2023 | Holo2transA_0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.09376288832; Eh | ||||
1-Feb-2023 | Holo2cis_10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.25391745472; Eh | ||||
1-Feb-2023 | Holo2cis_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21051368704; Eh | ||||
1-Feb-2023 | Holo2cis_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.22880534656; Eh | ||||
1-Feb-2023 | Holo2cis_11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.2434121248; Eh |
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- 60 Amber