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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_TS461_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657117414172; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_initial_TS467_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645598646548; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS101 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645303256097; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS90 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659571506396; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS93 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656992042794; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS103 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654665141335; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS95 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656775254185; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS99 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.653042457494; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS89 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659530952475; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS97 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660997884108; Eh | - | - |
Results 390791-390800 of 402296 (Search time: 0.216 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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