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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_CONF290_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93668528; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF264_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93726258; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF252_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93525698; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF27_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93577768; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF25_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93591009; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF28_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.93641848; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF51_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92493166; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF41_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92518932; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF44_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92537708; Eh | |||
 | 29-Jun-2025 | Cyfluthrin_beta_CONF45_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.92441362; Eh |
Results 387291-387300 of 397867 (Search time: 0.222 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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