Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 29-Jun-2025 | Cyhalothrin_gamma_CONF47_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15885614; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF54_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15947485; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF59_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.16313119; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF53_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15922210; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF51_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15887932; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF6_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1928.15691005; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF182_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18763747; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF183_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18748432; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF186_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18383017; Eh | ||||
| 29-Jun-2025 | Cyhalothrin_gamma_CONF190_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1928.18390996; Eh |
Results 382981-382990 of 397867 (Search time: 0.259 seconds).
Discover
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
- next >