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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 6-Mar-2026 | Hydroamination_R_initial_TS401_0 | Matsutani, Satoshi | GRRM; 23 | SADDLE | B3LYP | def2svp:pm7) | -5372.836235018323; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_initial_TS395_0 | Matsutani, Satoshi | GRRM; 23 | SADDLE | B3LYP | def2svp:pm7) | -5372.836235725088; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_initial_TS461_0 | Matsutani, Satoshi | GRRM; 23 | SADDLE | B3LYP | def2svp:pm7) | -5372.827604104616; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_initial_TS489_0 | Matsutani, Satoshi | GRRM; 23 | SADDLE | B3LYP | def2svp:pm7) | -5372.831911754247; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_initial_TS495_0 | Matsutani, Satoshi | GRRM; 23 | SADDLE | B3LYP | def2svp:pm7) | -5372.826317090172; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS16 | Matsutani, Satoshi | GRRM; 25 | Saddle | B3LYP | def2svp:pm7) | -5372.835268601743; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS34 | Matsutani, Satoshi | GRRM; 26 | Saddle | B3LYP | def2svp:pm7) | -5372.834335371478; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS44 | Matsutani, Satoshi | GRRM; 26 | Saddle | B3LYP | def2svp:pm7) | -5372.835268087733; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS69 | Matsutani, Satoshi | GRRM; 26 | Saddle | B3LYP | def2svp:pm7) | -5372.835267596369; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS20 | Matsutani, Satoshi | GRRM; 26 | Saddle | B3LYP | def2svp:pm7) | -5372.829736464718; Eh | - | - |
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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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