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- W2015472260 abstract "The electronic and vibrational properties of polyPCDA have been examined by means of ab initio calculations on oligomers performed as a function of the number of monomeric units and of the torsional angle τ between them. The vertical excitation energies S0 → S1 and the double and triple CC stretching frequencies of blue, red and bluish-green forms of the polyPCDA have been correlated to conformational structures with different torsional angles." @default.
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- W2015472260 date "2011-05-01" @default.
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- W2015472260 title "Structural properties of photochromic polyPCDA: A computational study" @default.
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- W2015472260 doi "https://doi.org/10.1016/j.molstruc.2010.11.021" @default.
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