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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | fluoxastrobin_Z_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1965.04833398; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF360_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18654830; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1494_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54248101; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF449_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.49763824; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF636_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53557740; Eh | |||
 | 9-Sep-2022 | thifensulfuron_CONF46_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1986.77490701; Eh | |||
 | 10-Sep-2022 | ethoxisulfuron_CONF1290_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1726.39141708; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18659058; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF791_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54399994; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF180_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51247491; Eh |
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- 2158 Mass spectrometry
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