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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_CONF143_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17592500; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF135_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17580118; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF138_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17553767; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF144_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17111614; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF147_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17566709; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF140_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17575724; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF139_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17565075; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF151_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17136575; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_CONF142_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.17092773; Eh | |||
 | 29-Jun-2025 | Cyhalothrin_gamma_CONF136_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16254366; Eh |
Results 382951-382960 of 397867 (Search time: 0.26 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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