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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_diffsub_initial_TS205_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599696067875; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS203_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607176062121; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS196_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604828050618; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS204_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600747124160; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS259_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600249339514; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS241_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604836985654; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS240_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602898782837; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS251_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605607491829; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS255_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.593477950353; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS264_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604667929967; Eh | - | - |
Results 390681-390690 of 402296 (Search time: 0.264 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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