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- W2000512857 abstract "The optimum structures of p-hydroxy azobenzene, 4-phenyl azo 1-naphthalene and 4-phenyl azo 1-napthol are determined theoretically using the quantum mechanical MO method PCILO. The conformational minima are obtained by simultaneous optimization of the geometric parameters. The conformers equilibria and their temperature dependence, suggested by experimental dipole moments results, are discussed on the basis of our PCILO calculations." @default.
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- W2000512857 date "1977-03-01" @default.
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- W2000512857 title "Theoretical conformational analysis of some hydroxyazoic dyes" @default.
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- W2000512857 doi "https://doi.org/10.1016/0301-0104(77)87020-1" @default.
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