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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_initial_TS370_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647351473719; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS371_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658366426273; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS369_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659189980444; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS372_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.644725295791; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS375_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649431702228; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS377_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646101817494; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS368_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647802051668; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS33 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.628243830328; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS34 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.641462873416; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS37 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665696481803; 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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