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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_CONF2_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74976122; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF286_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75542950; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF275_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75388377; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF270_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75405886; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF272_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75353005; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF262_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75414857; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF271_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75257331; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF28_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74870583; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF26_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.75083464; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF27_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74882222; Eh |
Results 387161-387170 of 397867 (Search time: 0.258 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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