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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_CONF29_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18931916; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF95_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18957193; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF98_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18524571; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF106_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17596504; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF112_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17594655; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF10_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17501017; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF113_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17584390; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF115_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17580015; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF11_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17423289; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF1_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17218200; Eh |
Results 387341-387350 of 397867 (Search time: 0.217 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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