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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-Sep-2022 | chlorimuron_methyl_CONF40_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58065588; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58231653; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF59_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58144374; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF28_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58289920; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF27_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58284899; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF26_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58334562; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF23_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58368030; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF57_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58074837; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF54_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58060708; Eh | ||||
10-Sep-2022 | chlorimuron_methyl_CONF30_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2109.58466691; Eh |
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