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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2023 | eptc_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67309633; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42275473; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF349_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21645472; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF226_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54679077; Eh | |||
 | 23-Dec-2022 | piperalin_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08258853; Eh | |||
 | 15-Dec-2022 | piperalin_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07591278; Eh | |||
 | 23-Dec-2022 | piperalin_CONF278_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08912877; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF347_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21625604; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1028_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51163404; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42446673; Eh |
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- 71027 Single point