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    Theoretical study in gas phase of linear and nonlinear optical properties of the ortho-, meta- and para-nitrophenol isomers

    The linear (α), and nonlinear (β, γ) optical NLO properties of ortho-, meta- and para-nitrophenol (ONP, MNP and PNP) isomers have been calculated in gas phase by using ab initio (HF, MP2 a...

    Johan Urdaneta, Yaneth Bermúdez, Federico Arrieta… in Theoretical Chemistry Accounts (2010)