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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_second_TS33 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661476436215; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS179 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659201056942; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS180 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660292277074; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS193 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.648342073251; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS194 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651631900189; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS197 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649953740702; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS196 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649951501960; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS198 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.669654540712; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS187 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646699230214; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS189 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.669648360632; Eh | - | - |
Results 387991-388000 of 397899 (Search time: 0.238 seconds).
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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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