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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | aldol_diffsub_initial_TS231_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606349823683; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS213_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600716657169; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS215_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599524206875; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS212_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600247828969; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS344_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606301114916; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS315_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604446778744; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS321_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609076425416; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS325_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606229312068; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS317_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601413724013; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS336_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605603505047; Eh | - | - |
Results 388741-388750 of 402241 (Search time: 0.203 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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