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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Sep-2022 | ethoxisulfuron_CONF1512_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.36520894; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1512_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.36520894; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1512_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39007256; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1512_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39007256; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1512_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.38644180; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1512_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.38644180; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1534_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.36705508; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1534_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.36705508; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1535_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39301900; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1535_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39301900; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1536_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39312444; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1536_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39312444; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1540_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39292590; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1540_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39292590; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1543_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.36711077; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1543_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.36711077; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1548_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.38878649; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1548_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.38878649; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1602_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39301373; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1602_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39301373; Eh |