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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_second_TS197 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604848141767; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS4_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656962170458; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS4_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656963964006; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS230 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602999238561; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS231 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605838141840; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS225 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603431907935; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS226 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604420467580; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS227 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.606466376355; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS228 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602258345935; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS229 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602325389888; Eh | - | - |
Results 391351-391360 of 402241 (Search time: 0.234 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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