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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_TS496_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.644217353056; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS494_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.637103319919; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS500_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662921886797; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS493_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.639327468534; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS5 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657849020732; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS3 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657853873992; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS4 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667252184103; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672698398110; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672693561843; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS136 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661268093669; Eh | - | - |
Results 389441-389450 of 402284 (Search time: 0.208 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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