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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-Sep-2022 | cinosulfuron_CONF26_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1781.71807729; Eh | ||||
9-Sep-2022 | prosulfuron_CONF444_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1853.85382725; Eh | ||||
29-Sep-2022 | metazosulfuron_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2350.80544502; Eh | ||||
9-Sep-2022 | prosulfuron_CONF440_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1853.85746034; Eh | ||||
9-Sep-2022 | prosulfuron_CONF441_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1853.85397715; Eh | ||||
9-Sep-2022 | prosulfuron_CONF443_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1853.85394277; Eh | ||||
29-Sep-2022 | metazosulfuron_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2350.80413181; Eh | ||||
10-Sep-2022 | ethametsulfuron_CONF405_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1760.69940188; Eh | ||||
29-Sep-2022 | metazosulfuron_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2350.80507123; Eh | ||||
9-Sep-2022 | prosulfuron_CONF437_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1853.85656178; Eh |
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