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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_neutral_second_TS121 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.268113045345; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS122 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265094146253; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS111 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266337207794; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS115 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264875589629; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS116 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266861071196; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS114 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263826331244; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS189 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265599539449; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS186 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265487732558; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS187 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.267114614826; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS188 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263007379830; 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
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
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