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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Feb-2026 | ts1_m06 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2299.0660603; Eh | |||
 | 5-Feb-2026 | PdL1_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1432.188138; Eh | |||
 | 5-Feb-2026 | ts4_m06 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8571993; Eh | |||
 | 5-Feb-2026 | ts3_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -2647.7071499; Eh | |||
 | 5-Feb-2026 | ts4'_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8606527; Eh | |||
 | 5-Feb-2026 | ts5_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8462924; Eh | |||
 | 5-Feb-2026 | ts6_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8170701; Eh | |||
 | 5-Feb-2026 | ts7_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8395599; Eh | |||
 | 5-Feb-2026 | ts8_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8269752; Eh | |||
 | 5-Feb-2026 | ts2 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | GENECP | -2299.62466382; Eh |
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- 748 Reaction mechanisms
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- 684 Homogeneous catalysis
- 529 Copper
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- 322 Halides
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- 294 Imine Condensation
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