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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | Mannich_S_initial_TS80_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658891782366; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS64_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.655139388840; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS74_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656721344674; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS241_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.642299158666; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS243_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657871235693; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS231_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652281646620; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS228_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649761951310; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS229_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646642599113; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS235_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647513242326; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS236_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660970532912; Eh | - | - |
Results 392251-392260 of 401714 (Search time: 0.265 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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