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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jun-2025 | Bioresmethrin_CONF50_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73871185; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF51_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73814379; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF52_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73577996; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF495_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74010515; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF529_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73975044; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF53_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73854834; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF5_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73744628; Eh | |||
 | 29-Jun-2025 | Cycloprothrin_CONF16_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2279.52826423; Eh | |||
 | 29-Jun-2025 | Cycloprothrin_CONF27_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2279.52993460; Eh | |||
 | 29-Jun-2025 | Cycloprothrin_CONF24_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2279.52672962; Eh |
Results 382791-382800 of 397899 (Search time: 0.217 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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