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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_CONF94_gas | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1079.73220370; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF480_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75459724; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF483_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75259389; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF490_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75110501; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF491_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75285970; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF492_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75281778; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF482_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75258462; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF484_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75274257; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF48_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75141130; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF49_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74852240; Eh |
Results 382761-382770 of 397899 (Search time: 0.228 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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