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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_TS121 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672680338883; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS117 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650905536872; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS119 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654306729832; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS107 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650912246065; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS111 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.640432579941; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS116 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672681921718; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS15_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643138694835; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS29_2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.655761537797; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS21_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.655591538216; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS22_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643135132990; 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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