Tuning the push–pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives

[Display omitted] •The potential of several push–pull chalcones as efficient NLO-phores is assessed.•NLO properties are calculated for different chalcone derivatives using DFT methods.•Chalcones with trimethoxypyren and nitro groups are found as efficient NLO-phores.•The structure-NLO property relat...

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