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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 5-Feb-2026 | int1_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2299.0912651; Eh | ||||
| 5-Feb-2026 | Cz_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2424.3751541; Eh | ||||
| 5-Feb-2026 | CO2_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -188.5855961; Eh | ||||
| 5-Feb-2026 | int6_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8829271; Eh | ||||
| 5-Feb-2026 | int7_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8964915; Eh | ||||
| 5-Feb-2026 | int2_m06 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2299.0866073; Eh | ||||
| 5-Feb-2026 | int5_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -2647.751283; Eh | ||||
| 5-Feb-2026 | int3_m06 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -2298.9027252; Eh | ||||
| 5-Feb-2026 | int4_m06 | Li, Yingzi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -2110.3383249; Eh | ||||
| 5-Feb-2026 | int8_m06 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2647.8735659; Eh |
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- 748 Reaction mechanisms
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- 684 Homogeneous catalysis
- 529 Copper
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- 327 Photocatalysis
- 322 Halides
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- 294 Imine Condensation
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