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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2023 | Holo4_6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.54285606591998; Eh | ||||
1-Feb-2023 | Holo4_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.55996160895998; Eh | ||||
1-Feb-2023 | Holo4_7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.54514479424; Eh | ||||
1-Feb-2023 | Holo4_5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.58205958207998; Eh | ||||
1-Feb-2023 | Holo4_4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.5529288928; Eh | ||||
1-Feb-2023 | Holo4_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -176.59282562496; Eh | ||||
1-Feb-2023 | Holo1_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.13225788736; Eh | ||||
1-Feb-2023 | Holo1_6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.11066875072; Eh | ||||
1-Feb-2023 | Holo1_5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.08383587328; Eh | ||||
1-Feb-2023 | Holo1_2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.08930558656002; Eh |
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