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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_TS388_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650078738518; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS11 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660550203484; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS12 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662900867044; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS14 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667926823366; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS15 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667247372512; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS20 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650251330562; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS19 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652545604371; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS23 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650922900742; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS17 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654002967009; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS10 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.662915290426; Eh | - | - |
Results 392271-392280 of 401714 (Search time: 0.256 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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