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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_gamma_CONF252_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15994961; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF255_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16417275; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF25_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16088701; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF256_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16356452; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF261_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16349231; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF263_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16346662; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF26_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15930986; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF52_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15861339; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF55_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15935565; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF57_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15915773; Eh |
Results 382971-382980 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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