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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_gamma_CONF76_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16376647; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF169_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18717136; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF174_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18763092; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF179_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18486272; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF176_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18493247; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF180_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18251174; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF181_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18474211; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF18_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18236947; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF171_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18462115; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF17_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18411177; Eh |
Results 382261-382270 of 397899 (Search time: 0.256 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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