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 | Bioresmethrin_CONF286_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74166985; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF296_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73985100; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF297_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74006123; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF265_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73919727; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF27_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73632796; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF28_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73613077; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF29_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73608488; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF3_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73709809; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF679_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74142777; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF685_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74239532; Eh |
Results 387181-387190 of 397867 (Search time: 0.235 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 >