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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_anion_initial_TS236_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.718258022647; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS430_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720543967544; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS406_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.718536649249; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS460_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720418723657; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS435_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722002548523; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS417_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720313682334; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS422_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723964165432; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS461_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724383281409; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS475_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729849460102; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS423_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721222517828; Eh | - | - |
Results 389981-389990 of 402373 (Search time: 0.195 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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