Browsing by Author "4c54514a-f163-4630-a3a2-45287efb156a"
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Mendizábal Emaldía, Fernando; Donoso, Daniela; Salazar, Richard (Sociedad Chilena de Quimica, 2013)The interaction between the [Pt3(μ-L)3(L') 3] cluster (L = CO, SO2, CNH; L' = PH3, CNH) and a series of fragments X (Tl+, Hg(0), AuPH3+, CuPH 3+ and AgPH3+) was studied using ab initio methodology. The calculations suggest ...
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Theoretical study on electronic spectra and interaction in [Au 3]-L-[Au3] (L = C6F6,Ag+) complexes Mendizábal Emaldía, Fernando; Salazar, Richard (2013)The electronic structure and spectroscopic properties of [Au 3(μ-C(OEt) = NC6H4CH3) 3]n-(C6F6)m and [Au 3(μ-C2,N3-bzim)3] n-(Ag+)m were studied at the B3LYP, PBE and TPSS levels. The interaction between the [Au3] cluster ...