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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jun-2025 | Cyfluthrin_beta_CONF41_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93896159; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF42_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93737595; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF43_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93899937; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF45_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93793049; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF44_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93906400; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF4_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93243913; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF55_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93705760; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF56_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93829607; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF57_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93844564; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF47_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93839294; Eh |
Results 382891-382900 of 397867 (Search time: 0.219 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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