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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_CONF140_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73262518; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF129_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.72814090; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF14_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73033477; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF318_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73292212; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF320_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73377640; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF305_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73372587; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF307_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73384745; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF313_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73267094; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF324_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73361077; Eh | ||||
| 29-Jun-2025 | Bioresmethrin_CONF297_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73113709; Eh |
Results 382741-382750 of 397899 (Search time: 0.26 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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