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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_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.73742203; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1228_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.38892987; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1229_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39435334; Eh | |||
 | 10-Sep-2022 | chlorsulfuron_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1897.73718182; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1217_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39314789; Eh | |||
 | 10-Sep-2022 | flazasulfuron_CONF133_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1850.41189841; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1671_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.36815890; Eh | |||
 | 10-Sep-2022 | flazasulfuron_CONF137_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1850.41174147; Eh | |||
 | 10-Sep-2022 | flazasulfuron_CONF136_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1850.41173790; Eh | |||
 | 10-Sep-2022 | flazasulfuron_CONF138_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1850.41167381; Eh |
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- 4871 Orca