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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_second_TS1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.670458341654; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS7 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.658610775323; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS8 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.669659409981; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.669644316824; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS151 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.650600566138; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS136 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645825964257; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS141 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.645646881809; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS143 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660320104827; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS147 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657335109947; Eh | - | - | |
| 6-Mar-2026 | Mannich_R_second_TS148 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659331607056; Eh | - | - |
Results 389491-389500 of 402284 (Search time: 0.203 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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