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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_TS36_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657606085855; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS47_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657601047909; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS40_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659293701730; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS48_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658781331154; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS32_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659293143619; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS39_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643129936288; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS43_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649648708088; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS163_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650572597026; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS177_2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663118492355; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS164_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660403099322; 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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