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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_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.55850124479997; Eh | ||||
20-Feb-2023 | SP1_crystal_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.60679083072; Eh | ||||
20-Feb-2023 | SP1_crystal_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.58913406143995; Eh | ||||
20-Feb-2023 | SP1_crystal_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.56282260992; Eh | ||||
20-Feb-2023 | SP1_crystal_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.5736938304; Eh | ||||
20-Feb-2023 | SP1_crystal_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.56174135232; Eh | ||||
20-Feb-2023 | SP1_crystal_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.53828754432; Eh | ||||
24-Sep-2024 | MD_3@CB7 | Novotny, Jan | Amber; 22 | Molecular Dynamics | - | - | -23.26760189568; Eh | ||||
24-Sep-2024 | MD_4@CB7 | Novotny, Jan | Amber; 22 | Molecular Dynamics | - | - | -22.83261013056; Eh |
Results 221-229 of 229 (Search time: 0.001 seconds).