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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_S_second_TS138 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.669782136369; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS139 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650908126667; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS123 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652981474983; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS124 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665075448109; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS126 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.642374385650; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS128 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664487867432; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS129 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643861498536; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS133 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650422011013; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS34_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651293709545; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS38_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665375466790; 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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