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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_TS43 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651605599178; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS47 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.637326314434; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS40 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662946942157; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS44 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645440408827; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS38 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.648807114545; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS26 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649565957166; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS154 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646856161322; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS155 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658545518649; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS157 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656707723494; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS158 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645570110240; 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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