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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Oct-2025 | /Mechanism Bn· | Ortuño Maqueda, Manuel Angel | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | UM062X | DEF2TZVP GEN | -270.882234773; Eh | |||
| 22-Oct-2025 | /Mechanism HA1· | Ortuño Maqueda, Manuel Angel | Gaussian; 16; EM64L-G16RevC.01 | Single point Minimum | UM062X | DEF2TZVP GEN | -1246.76486514; Eh |
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- 10020 Density functional calculations
- 6918 Radicals
- 6766 Aromaticity
- 6725 Ab initio calculations
- 6620 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3047 boron
- 3047 descriptors
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