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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jun-2026 | /Side J | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | - | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2066.96603080; Eh | |||
| 29-Jun-2026 | /Other P | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | - | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2066.95105823; Eh | |||
| 29-Jun-2026 | /Molecules Diene | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | - | 6-31G(D,P) GEN | -386.749538014; Eh | |||
| 29-Jun-2026 | /Mechanism C | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | - | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2066.95795974; Eh |
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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
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
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