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Also Download Speccy Professional 2018 Crack Serial Key. Read Full ArticleTheoretical investigation of the structure and the electronic properties of Ag(2)O(2)(4-) and Au(2)O(2)(4-) in water solution at the HF and MP2 level.
The potential energy surface of Ag(2)O(2)(4-) and Au(2)O(2)(4-) were explored with the CCSD(T) theory. An improved basis set, aug-cc-pVQZ, was employed. The geometries of all the possible structures of Ag(2)O(2)(4-) and Au(2)O(2)(4-) at the level of HF and MP2 were investigated with the B3LYP/aug-cc-pVTZ method. The geometry of two local energy minima were established. The harmonic vibrational frequency of Ag(2)O(2)(4-) and Au(2)O(2)(4-) was also calculated. The infrared and Raman spectra of these complexes were predicted. The assignments of all the observed vibrational peaks were discussed in detail. In addition, the electronic structure of Ag(2)O(2)(4-) and Au(2)O(2)(4-) were studied. The results indicated that both the main local energy minima and their vibrational frequencies of Ag(2)O(2)(4-) and Au(2)O(2)(4-) are similar to the corresponding species of Ag(2)O(2)(2-) and Au(2)O(2)(2)(-) in the gas phase.


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