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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jun-2025 | Cyhalothrin_CONF87_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18577225; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF88_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18956891; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF91_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.19016154; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF8_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18928769; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF9_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18885692; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF48_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17541304; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF49_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17005574; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF50_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17102670; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF56_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17590054; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF57_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17555477; Eh |
Results 382221-382230 of 397899 (Search time: 0.225 seconds).
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- 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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