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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_TS14 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265567793704; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS10 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265309402926; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS12 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264455614258; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS16 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264839863002; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS57 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264894742781; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS58 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264352939945; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS63 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266201942881; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS64 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263574396503; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS65 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264148327040; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS66 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266033577798; 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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