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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Sep-2022 | fluopyram_CONF92_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55174848; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1719_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54281935; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1724_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54355371; Eh | |||
 | 23-Dec-2022 | piperalin_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08834161; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF789_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53147838; Eh | |||
 | 17-Jan-2023 | eptc_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67493860; Eh | |||
 | 15-Dec-2022 | piperalin_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07650272; Eh | |||
 | 23-Dec-2022 | piperalin_CONF278_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08912877; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF403_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42376967; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF292_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54578640; Eh |
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- 253 Lewis acids
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- 238 cannabinoid
- 238 THC
- 168 Silver
- 168 Tautomerism
- 161 Carbocations
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