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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_CONF18_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93643337; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF212_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92244104; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF252_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92198064; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF165_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92264720; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF16_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92424282; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF18_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92256404; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF15_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92403986; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF22_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92286822; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF17_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92231390; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF19_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92296611; Eh |
Results 382171-382180 of 397899 (Search time: 0.219 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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