【摘 要】
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The quantum calculations based on density functional theory(DFT)have been carried out to investigate the relationship between redox properties and second-or
【机 构】
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Department of Chemistry,Northeast Normal University,Changchun 130024
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The quantum calculations based on density functional theory(DFT)have been carried out to investigate the relationship between redox properties and second-order nonlinear optical(NLO)responses of Keggin-type anions [XNbW11O40]n-/(n+1)-(X = Al,Si,P,S,Ga,Ge,As,Se).
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