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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_neutral_initial_TS69_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261318978890; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS64_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264531854126; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS68_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.259315565260; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS76_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.264808014034; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS78_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.261384158530; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS196_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.262821349559; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS205_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.260064932969; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS213_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.263520037764; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS217_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.260250153051; Eh | - | - | |
| 6-Mar-2026 | aldol_neutral_initial_TS212_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.265717864310; Eh | - | - |
Results 388671-388680 of 402241 (Search time: 0.25 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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