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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_TS13_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649969021997; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS2_2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667359649249; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS12_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665720258328; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS8_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665370258917; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS10_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665381777204; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS143_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659324718321; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS132_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656807936246; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS133_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660272074047; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS134_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662449754342; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS127_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653926075966; Eh | - | - |
Results 390761-390770 of 402296 (Search time: 0.199 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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