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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_CONF73_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15601530; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF61_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16281410; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF71_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16410363; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF65_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16034899; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF7_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15748155; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF60_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16398660; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF209_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18395542; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF200_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18394589; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF203_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18785344; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF207_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18497505; Eh |
Results 387381-387390 of 397899 (Search time: 0.257 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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