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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_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.36338135039998; Eh | ||||
21-Feb-2023 | SP2_design_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.34852612992; Eh | ||||
21-Feb-2023 | SP2_design_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.33004754111997; Eh | ||||
21-Feb-2023 | SP2_crystal_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.81918788927996; Eh | ||||
21-Feb-2023 | SP2_crystal_md12 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.83688832319996; Eh | ||||
21-Feb-2023 | SP2_crystal_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.82702983551997; Eh | ||||
21-Feb-2023 | SP2_design_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.34229499456; Eh | ||||
21-Feb-2023 | SP2_design_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.32687691455996; Eh | ||||
21-Feb-2023 | SP2_crystal_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.83296822655998; Eh |
Results 1-10 of 44 (Search time: 0.001 seconds).