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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jun-2025 | Cyfluthrin_CONF33_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93736181; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF326_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93742309; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF123_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92440909; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF124_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92409714; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF127_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92463702; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF129_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92575540; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF111_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92517195; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF112_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92094321; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF120_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92441079; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_CONF117_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92505388; Eh |
Results 387241-387250 of 397867 (Search time: 0.241 seconds).
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Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3145 Homogeneous catalysis
- 3047 boron
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