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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | Mannich_R_initial_TS81_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656833582063; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS87_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656883060217; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS74_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.670458000033; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS84_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651564458065; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS179_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658299553677; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS180_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663278115146; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS181_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646772415717; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS183_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662434987998; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS184_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663282030644; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS186_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659331920413; 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
- 3145 Homogeneous catalysis
- 3047 boron
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