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Electronic properties and stabilities of methoxy-substituted Lindqvist polyoxometalates [Nb 2W 4O 19
Tuning second-order non-linear (NLO) optical response of organoimido-substituted hexamolybdates thro
Quantum chemical design for enhanced second-order NLO response of terpyridine-substituted hexamolybd
A theoretical study on the efficient reversible redox-based switching of the second-order polarizabi
Density functional theoretical study on electronic properties of lindquist-type anions [M 6-nMo nO 1
Theoretical investigation of structural and electronic propertyies of [PW 12O 40] 3- on graphene lay
Quantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin ty
Computational study on redox-switchable 2D second-order nonlinear optical properties of push-pull mo
Theoretical investigation of electronic properties and redox properties for purely inorganic and ary
Aspects of the Nonlinear Optical Properties as a Guide to Protonation Sites: A Theoretical Study upo
Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-subs
Prediction of second-order optical nonlinearity of porphyrin-metal- polyoxometalate sandwich compoun
Redox and photoisomerization switching the second-order nonlinear optical properties of a tetrathiaf
Theoretical investigation of second-order nonlinear optical responseHexamolybdate as a superior dono
Quantum chemical studies of Lindqvist-type polyoxometalates containing late 3d transition metals ([(
Theoretical study of the impact factor on redox property and second-order nonlinear response for org
Theoretical investigation on electronic structure and second-order nonlinear optical properties of n
First principle investigation of transport properties of Lindqvist derivatives based molecular junct
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