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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | pethoxamid_CONF363_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42604687; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1199_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53472128; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF362_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42369449; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF327_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21685919; Eh | |||
 | 9-Sep-2022 | tolfenpyrad_CONF326_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1588.52261923; Eh | |||
 | 27-Sep-2022 | dimoxystrobin_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1072.50279585; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF367_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51252012; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57965965; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54842189; Eh | |||
 | 15-Dec-2022 | piperalin_CONF258_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07889305; Eh |
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- 253 Lewis acids
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- 238 cannabinoid
- 238 THC
- 168 Silver
- 168 Tautomerism
- 161 Carbocations
- 126 Amides
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