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Collection hits:
| Collection Name |
|---|
| Mechanochemical Rate Enhancement |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Mar-2026 | Anthraquinone | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -688.5236828; Eh | |||
 | 12-Mar-2026 | Anthracene4 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -539.3059194; Eh | |||
 | 12-Mar-2026 | Anthracene | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -539.2828776; Eh | |||
 | 12-Mar-2026 | TS1a | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1227.8102812; Eh | |||
 | 12-Mar-2026 | TS1c | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1227.8209068; Eh | |||
 | 12-Mar-2026 | ZnCl2 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2699.8535407; Eh | |||
 | 12-Mar-2026 | Anthracene5 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -539.3004108; Eh | |||
 | 12-Mar-2026 | int1a | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6088.3088526; Eh | |||
 | 12-Mar-2026 | int1e | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6088.3352314; Eh |
Results 103551-103560 of 103569 (Search time: 0.067 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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