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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Feb-2023 | SP1_crystal_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.55294977984; Eh | ||||
20-Feb-2023 | SP1_crystal_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.548381088; Eh | ||||
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_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.38522418815998; 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_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.40947941759995; 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 |
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