Atomic and electronic structures of neutral and charged boron and boron-rich clusters
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چکیده
منابع مشابه
Electronic structure and photoelectron spectra of Bn with n = 26-29: an overview of structural characteristics and growth mechanism of boron clusters.
Boron clusters have been of great interest over the last few decades due to their unique chemical and physical properties. In the present work, we performed a theoretical study of geometrical and electronic structures of boron clusters Bn with n = 26-29 in both neutral and anionic states using DFT and MO computational methods. The photoelectron spectra of anionic species were simulated using TD...
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