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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_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 | Holo1_11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.10073217664; Eh | ||||
1-Feb-2023 | Holo1_10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.12301676032; Eh | ||||
1-Feb-2023 | Holo1_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.12267445504; Eh | ||||
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 |
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