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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_TS347_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664043445491; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS356_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662145468354; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS30 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652116446707; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS24 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660568363914; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS27 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663784966853; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS31 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643471758633; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS23 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.640767639274; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS28 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645561045238; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS26 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663992389866; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS35 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663783267317; 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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