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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_second_TS157 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723208168597; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS158 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724720544597; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS159 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721118265907; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS165 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726187222944; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS164 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722983877772; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS42_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603070223015; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS48_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604324867862; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS49_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602383785936; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS55_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601997983921; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS57_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608354574792; Eh | - | - |
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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
- 3145 Homogeneous catalysis
- 3047 boron
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