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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 21-Feb-2023 | SP2_design_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.34333163135997; Eh | ||||
| 21-Feb-2023 | SP2_design_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.34586147135997; Eh | ||||
| 21-Feb-2023 | SP2_design_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.33004754111997; Eh | ||||
| 21-Feb-2023 | SP2_crystal_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.82580929727996; 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_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.81591033216; Eh | ||||
| 21-Feb-2023 | SP2_design_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.38174392511996; Eh | ||||
| 21-Feb-2023 | SP2_design_md12 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.34295251391998; Eh | ||||
| 21-Feb-2023 | SP2_design_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.33718878143998; Eh |
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