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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_TS308_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659472574458; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS311_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.627625983385; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS321_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654360123975; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS323_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.644429128895; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS302_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.651341586687; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS325_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657907034420; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS326_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657514030454; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS313_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657939412778; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS456_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647634403820; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS466_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647151153495; Eh | - | - |
Results 390731-390740 of 402296 (Search time: 0.228 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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