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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_TS293_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667228826223; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS296_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650193519528; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS298_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652296125290; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS287_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651332030371; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS277_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661305460313; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS272_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654160607659; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS274_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.633500353573; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS282_2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652867420438; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS431_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645446901735; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS452_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.641682131711; Eh | - | - |
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- 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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