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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | aldol_diffsub_second_TS184 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.607030549626; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS185 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602210522239; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS186 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.599077640322; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS181 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.608802345297; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS74_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.656721742504; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS76_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658403406636; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS70_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657414949970; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS72_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.666027918982; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS77_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.655156764551; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS78_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658393242944; Eh | - | - |
Results 392241-392250 of 401714 (Search time: 0.286 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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