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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_CONF260_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08914602; Eh | |||
 | 15-Dec-2022 | piperalin_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07666701; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1814_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54261043; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1107_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51097856; Eh | |||
 | 23-Dec-2022 | piperalin_CONF258_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08927822; Eh | |||
 | 7-Oct-2022 | amisulbrom_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4548.40208144; Eh | |||
 | 3-Oct-2022 | octhilinone_CONF74_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -958.84627307; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55282539; Eh | |||
 | 15-Dec-2022 | piperalin_CONF282_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07893413; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94298789; Eh |
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