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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2024 | /benchmark TS1_pbe0 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | 6-31G(D,P) | -771.893751218; Eh | |||
 | 22-Apr-2024 | /protonated TS2B_T_protonated | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -3361.39988732; Eh | |||
 | 22-Apr-2024 | /protonated TS2A_T_protonated | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -3361.39051299; Eh |
Results 211-213 of 213 (Search time: 0.002 seconds).
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- 109 C-H activation
- 83 Rhodium
- 65 C-C activation
- 48 Cycloaddition
- 26 Carbenes
- 26 Lactones
- 23 barbaralone
- 23 Cobalt
- 23 polycyclic
- 23 rearrangement
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- 213 Gaussian