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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_TS126 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265400310835; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS132 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.260267545519; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS191 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266160692011; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS194 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266258629091; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS192 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262111736736; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS202 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265518894378; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS200 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261766764617; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS199 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262677843492; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS201 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264391383254; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS193 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264609410528; 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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