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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Dec-2024 | /MeOH/CuI-NH3_anchoring/L2 L2 | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | DZP; TZP | -1695.003405; eV | |||
 | 2-Dec-2024 | /THF/CuI-MeCN_anchoring/L2 L2 | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | DZP; TZP | -1711.718000; eV | |||
 | 2-Dec-2024 | /THF/CuI-MeCN_complexes/L7 L7 | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | - | -737.349887; eV | |||
 | 2-Dec-2024 | /THF/CuI-MeCN_complexes/L2 L2 | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | - | -466.908272; eV | |||
 | 2-Dec-2024 | /MeOH/CuI-NH3_complexes/L2 L2 | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | - | -450.057990; eV | |||
 | 2-Dec-2024 | /MeOH/CuI-MeCN_complexes/L2 L2 | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | - | -466.968970; eV | |||
 | 2-Dec-2024 | /MeOH/CuI-NH3_anchoring/L10_CH-pi L10_ch_pi | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | DZP; TZP | -1965.400197; eV | |||
 | 2-Dec-2024 | /MeOH/CuI-NH3_anchoring/L10_pi-pi L10_pi_pi | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | DZP; TZP | -1966.156520; eV | |||
 | 2-Dec-2024 | /MeOH/CuI-MeCN_anchoring/L10_pi-pi L10_pi_pi | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | DZP; TZP | -1983.227754; eV | |||
 | 2-Dec-2024 | /THF/CuI-NH3_anchoring/L10_pi-pi L10_pi_pi | Nicaso, Marco | AMS; 2021.101; r94406 | Geometry optimization | BP86 | DZP; TZP | -1965.865749; eV |
Results 103511-103520 of 103542 (Search time: 0.07 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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