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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_CONF203_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93888270; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF205_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93441488; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF208_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93684323; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF212_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93620753; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF209_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93553451; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF22_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93561753; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF2_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93512807; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF255_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93448377; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF280_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93751009; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF283_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93713117; Eh |
Results 387281-387290 of 397867 (Search time: 0.258 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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