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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_TS113_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653923017953; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS111_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660077862975; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS115_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652376883354; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS123_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659557770161; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS247_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650585844041; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS253_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.644776908572; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS254_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.644062594938; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS235_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.644326425341; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS245_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652070534819; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS258_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649033672216; Eh | - | - |
Results 391411-391420 of 402241 (Search time: 0.238 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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