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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2024 | TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -772.392133399; 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 | |||
 | 22-Apr-2024 | /protonated r1_protonated | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVP | -672.924612410; Eh | |||
 | 28-Mar-2024 | P5 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-31G(D,P) | -815.065018167; Eh | |||
 | 28-Mar-2024 | R2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-31G(D,P) | -815.107734157; Eh | |||
 | 28-Mar-2024 | TS3 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -815.080408078; Eh |
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- 270 C-H activation
- 175 Rhodium
- 170 barbaralone
- 170 polycyclic
- 170 rearrangement
- 170 shapeshift
- 138 C-C activation
- 112 Cycloaddition
- 83 Carbenes
- 79 Lactones
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