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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_TS498_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660062911320; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS495_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.648815698862; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS130 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664010866629; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS110 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659820984558; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS108 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659625078340; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS111 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654477176975; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS119 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659534721437; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS120 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650764360380; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS132 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.648894302303; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS134 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657154940511; Eh | - | - |
Results 388851-388860 of 402241 (Search time: 0.25 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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