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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Dec-2022 | piperalin_CONF282_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08934556; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF242_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54520000; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1065_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50982725; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94272331; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF100_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.57446524; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF97_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55194273; Eh | |||
 | 7-Oct-2022 | amisulbrom_CONF28_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4548.37994502; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF93_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55184216; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF989_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53565540; Eh | |||
 | 17-Jan-2023 | eptc_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67520451; Eh |
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