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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2023 | flurochloridone_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.37563557; Eh | |||
 | 27-Sep-2022 | flufenoxystrobin_CONF142_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1794.44381593; Eh | |||
 | 10-Sep-2022 | cyclosulfamuron_CONF73_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1782.70529519; Eh | |||
 | 24-Feb-2023 | flurochloridone_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.39850050; Eh | |||
 | 24-Feb-2023 | flurochloridone_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.39855966; Eh | |||
 | 24-Feb-2023 | flurochloridone_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.39736440; Eh | |||
 | 24-Feb-2023 | flurochloridone_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.39847812; Eh | |||
 | 24-Feb-2023 | flurochloridone_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.40058662; Eh | |||
 | 9-Sep-2022 | rimsulfuron_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2140.62704511; Eh | |||
 | 27-Sep-2022 | flufenoxystrobin_CONF141_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1794.44330998; Eh |
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