Browsing by Subject "Electronic spectra"
Now showing items 1-4 of 4
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(2009)The platinum-platinum attraction and the spectroscopic properties of [Pt3(μ-CO)3(CO)3]n-2 (n = 3-5) were studied at the PBE level. Theoretical calculations are in agreement with experimental geometries. The absorption ...
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(2010)The interaction between Au3(CH3NACOCH 3)3} and {2,4,7-trinitro-9- ?uorenone} and the electronic structure and spectroscopic properties of {Au3 (CH3N= COCH3)3}n{2,4,7-trinitro-9-?uorenone} (n = 1,2) are studied at the HF, ...
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Theoretical study on electronic spectra and interaction in [Au 3]-L-[Au3] (L = C6F6,Ag+) complexes (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 ...
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(Springer, 2013)The electronic structure and spectroscopic properties of [Au3(μ-C(OEt) 0 NC6H4CH3)3]n-(C6F6)m and [Au3(μ-C2,N3-bzim)3]n-(Ag+)m were studied at the B3LYP, PBE and TPSS levels. The interaction between the [Au3] cluster ...