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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_CONF142_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73815833; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF147_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74068111; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF152_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73569308; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF184_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74169702; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF200_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74030412; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF19_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73780229; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF14_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73810438; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF15_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73810027; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF496_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74063351; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF528_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73935824; Eh |
Results 382781-382790 of 397899 (Search time: 0.219 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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