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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_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 | Holo2cis_4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21518691903998; Eh | ||||
1-Feb-2023 | Holo2cis_3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.23300719168; Eh | ||||
1-Feb-2023 | Holo2transA_1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.09808409407998; Eh | ||||
1-Feb-2023 | Holo2transA_2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.07012326656; Eh | ||||
1-Feb-2023 | Holo2transB_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -170.01667140288; Eh | ||||
1-Feb-2023 | Holo2transB_7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.96982800895998; Eh |
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