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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_beta_CONF48_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93902195; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF49_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93844034; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF54_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93360117; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF50_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93902657; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF5_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93217444; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF54_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92139898; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF55_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92409796; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF56_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92465090; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF57_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92474449; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF58_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92404705; Eh |
Results 382901-382910 of 397867 (Search time: 0.216 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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