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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Dec-2022 | piperalin_CONF284_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07889112; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1612_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54355205; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1606_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54287770; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF724_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53514357; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.55004139; Eh | |||
 | 7-Oct-2022 | meptyldinocap_CONF444_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.15671088; Eh | |||
 | 15-Dec-2022 | piperalin_CONF275_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07753193; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF368_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42603945; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF380_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50740073; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1190_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53468307; Eh |
Results 251-260 of 81456 (Search time: 0.008 seconds).
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- 253 Lewis acids
- 242 silver
- 238 cannabinoid
- 238 THC
- 168 Silver
- 168 Tautomerism
- 161 Carbocations
- 126 Amides
- 126 density functional theory
- 126 Dications
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