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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2023 | pyridate_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1856.33329437; Eh | |||
 | 18-Jan-2023 | dimethenamid_CONF110_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1531.80788642; Eh | |||
 | 9-Sep-2022 | sulfosulfuron_CONF233_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2272.21723482; Eh | |||
 | 18-Jan-2023 | piperophos_CONF1512_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1968.77502261; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53779613; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1413_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54400684; Eh | |||
 | 27-Sep-2022 | fluoxastrobin_Z_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1965.04752602; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF286_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.18298257; Eh | |||
 | 10-Sep-2022 | cyclosulfamuron_CONF32_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1782.73304665; Eh | |||
 | 18-Jan-2023 | dimethenamid_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1531.80475905; 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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