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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_TS445_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645344868117; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS442_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661164476318; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS76 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656578994898; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS79 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.644313224060; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS83 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649358182634; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS74 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.669664972314; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS85 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656004835086; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS80 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656578901326; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS81 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656983549434; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS87 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659244540830; Eh | - | - |
Results 391431-391440 of 402241 (Search time: 0.199 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
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
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