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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Sep-2022 | chlorsulfuron_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.74000580; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.73987823; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.73954925; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF9_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.71005369; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.70999108; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.71001131; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.71000276; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.70993575; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.71002890; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.71079912; Eh |
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- 4871 Orca