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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_R_initial_TS130_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650561062243; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS138_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646851852791; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS139_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652107619453; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS141_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654716412959; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS274_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645444777128; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS278_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.663754143397; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS259_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660502786915; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS269_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658300764126; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS271_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645564568762; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS275_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652054303506; Eh | - | - |
Results 390771-390780 of 402296 (Search time: 0.236 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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