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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Feb-2023 | SP2_crystal_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.82628801471998; Eh | ||||
21-Feb-2023 | SP2_crystal_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.81272281344; Eh | ||||
21-Feb-2023 | SP2_crystal_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.87525599615998; Eh | ||||
21-Feb-2023 | SP2_crystal_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.83296822655998; Eh | ||||
21-Feb-2023 | SP2_crystal_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.83034053952; Eh | ||||
21-Feb-2023 | SP2_crystal_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.81741596543998; Eh | ||||
21-Feb-2023 | SP2_crystal_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.84317332223998; Eh | ||||
21-Feb-2023 | SP2_crystal_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.81591033216; Eh | ||||
21-Feb-2023 | SP2_design_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.40947941759995; Eh | ||||
21-Feb-2023 | SP2_crystal_md12 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.83688832319996; Eh |
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