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    #1 Re: Multiwfn and wavefunction analysis C6H6 and B3N3H6 Aromatic Rings with doping alkali metal atom 2018-05-21 01:06:01

    Thank you for your kind share!

    I_was_a_baby wrote:

    Theoretical Research of C6H6 and B3N3H6 Aromatic Rings with doping alkali metal atom

    By I_was_a_baby

    Abstract: a series of NLO clusters have been designed by C6H6 and B3N3H6 with alkali metal atoms. Via analysis of a series of wavefunction analysis methods, it can be seen that doping alkali metal atoms can not only improve the nonlinear optical properties of the entire system, but also affect the properties of the doped aromatic system.

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