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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_CONF49_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15952352; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF5_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16062802; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF151_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18475700; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF152_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18988913; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF153_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18972236; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF156_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18301043; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF157_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18770009; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF158_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.19015222; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF159_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18711476; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF150_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18940429; Eh |
Results 382931-382940 of 397867 (Search time: 0.22 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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