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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_CONF703_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74237936; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF70_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73892623; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF705_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74146306; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF707_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74146091; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF69_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73942797; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF71_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.74067571; Eh | |||
 | 29-Jun-2025 | Bioresmethrin_CONF72_water | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1079.73943994; Eh | |||
 | 29-Jun-2025 | Cycloprothrin_CONF31_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2279.55798408; Eh | |||
 | 29-Jun-2025 | Cycloprothrin_CONF35_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2279.55673991; Eh | |||
 | 29-Jun-2025 | Cycloprothrin_CONF48_octanol | Alcamí, Manuel | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2279.55824069; Eh |
Results 387191-387200 of 397867 (Search time: 0.22 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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