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ChemInform Abstract: Starlike Aluminum—Carbon Aromatic Species. |
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| Authors: | Yan‐Bo Wu Jin‐Liang Jiang Hai‐Gang Lu Zhi‐Xiang Wang Nancy Perez‐Peralta Rafael Islas Maryel Contreras Gabriel Merino Judy I‐Chia Wu Paul von Rague Schleyer |
| Abstract: | Born‐Oppenheimer molecular dynamics simulations and high‐level quantum chemical computations (B3LYP, MP2, CCSD(T)) reveal the starlike D5h C5Al5‐ global minimum with five planar tetracoordinate carbon atoms to be a promising candidate for detection by photoelectron detachment spectroscopy. |
| Keywords: | theory, structure aluminum, Al carbon, C |