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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_TS87 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266205857416; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS89 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263530048960; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS90 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.266049761070; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS91 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264932762919; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS85 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263270060527; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS178 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265832243164; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS180 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265516264277; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS169 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265479589994; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS170 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265416590351; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_second_TS173 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264799272782; 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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