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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_second_TS144 | Matsutani, Satoshi | GRRM; 25 | Saddle | B3LYP | def2svp:pm7) | -5372.836238155644; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS165 | Matsutani, Satoshi | GRRM; 25 | Saddle | B3LYP | def2svp:pm7) | -5372.819277143892; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS171 | Matsutani, Satoshi | GRRM; 25 | Saddle | B3LYP | def2svp:pm7) | -5372.817660426325; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS172 | Matsutani, Satoshi | GRRM; 25 | Saddle | B3LYP | def2svp:pm7) | -5372.836238130913; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS138 | Matsutani, Satoshi | GRRM; 25 | Saddle | B3LYP | def2svp:pm7) | -5372.819291921103; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS198 | Matsutani, Satoshi | GRRM; 26 | Saddle | B3LYP | def2svp:pm7) | -5372.819279886232; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS70 | Matsutani, Satoshi | GRRM; 26 | Saddle | B3LYP | def2svp:pm7) | -5372.829887590899; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS99 | Matsutani, Satoshi | GRRM; 26 | Saddle | B3LYP | def2svp:pm7) | -5372.834338814774; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_R_second_TS73 | Matsutani, Satoshi | GRRM; 26 | Saddle | B3LYP | def2svp:pm7) | -5372.830522676775; Eh | - | - | |
![]() | 6-Mar-2026 | Hydroamination_S_initial_TS365_0 | Matsutani, Satoshi | GRRM; 23 | SADDLE | B3LYP | def2svp:pm7) | -5372.825586526038; Eh | - | - |
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- 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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