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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_initial_TS88_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263044762826; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS90_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263564241748; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS91_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263953847628; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS92_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264027022075; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS87_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263435458073; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS241_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264427952498; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS238_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264664016540; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS221_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261069836316; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS268_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263486169487; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS234_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262590369506; Eh | - | - |
Results 391221-391230 of 402241 (Search time: 0.196 seconds).
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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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