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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_TS38 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265883063688; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS39 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265517553431; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS41 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265295347775; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS44 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264647569690; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS42 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263870187633; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS40 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.267707260362; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS93 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264238567077; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS86 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264473040218; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS94 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263360438934; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS92 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264498623086; 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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