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Structure and properties of Men IB-metals nanoclusters with n = 2–8
Quantum-chemical modeling of Men IB-metals clusters with n = 2–8 was used to reveal the most stable isomeric forms. The analysis of the structure and some properties (geometric, energetic and electronic) was carried out. It was shown that the growth of cluster size results in the growth of number of isomeric forms and the share of 3D-structures among them. Ther IR-spectra of IB-metal clusters at Т = 298 К were calculated and revealed the broadening of vibration frequencies band principally into the range of small wave numbers.
metal nanoclusters; quantum-chemical modeling; stable isomers.
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