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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_second_TS88 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647799519318; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS103 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.638371883377; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS102 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650556745313; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS98 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646090608825; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS92 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.648320482331; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS97 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.641127755453; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS5_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665536592824; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS3_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665379728091; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS7_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665549799798; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS2_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667359619782; Eh | - | - |
Results 390751-390760 of 402296 (Search time: 0.204 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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