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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_TS384_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727031392157; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS385_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721891203210; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS47 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724074048167; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS46 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729230076134; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS43 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720374436256; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS45 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726370801678; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS48 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720398940937; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS50 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727105496526; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS51 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720957013992; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS44 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724858898945; Eh | - | - |
Results 392171-392180 of 401714 (Search time: 0.273 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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