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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_TS316_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645287276533; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS329_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660076025624; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS345_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645949960246; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS331_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657119285646; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS335_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664017683226; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS13 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653223967965; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS16 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650214314514; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS20 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.664239451393; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS15 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658595682633; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS10 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660571219809; Eh | - | - |
Results 389481-389490 of 402284 (Search time: 0.197 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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