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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_TS130_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652864778478; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS128_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659542815192; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS129_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659543133424; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS116_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658575040474; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS121_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652980984361; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS122_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.638061520282; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS124_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652980989238; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS122_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.638061633988; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS115_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653341763327; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS288_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650908253541; Eh | - | - |
Results 391361-391370 of 402241 (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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