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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | aldol_diffsub_second_TS140 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604187969309; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS37_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657860108047; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS31_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657874051922; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS35_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662935105631; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS30_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672685566436; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS22_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657874674240; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS36_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662933160133; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS27_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654642498645; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS23_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.668041339781; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS26_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657868905459; Eh | - | - |
Results 388771-388780 of 402248 (Search time: 0.249 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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