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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | 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_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 | Holo2cis_5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20953218879998; Eh | ||||
1-Feb-2023 | Holo2transA_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.11283620864; Eh | ||||
1-Feb-2023 | Holo2transA_7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.11057998976; Eh | ||||
1-Feb-2023 | Holo2transA_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -163.1181374784; Eh |
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