Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-substituted hexamolybdates: Structural modelling towards a rational entry to NLO materials
Keywords: قطبش پذیری مرتبه دوم; Polyoxometalates; Organic–inorganic hybrids; Molybdenum; Second-order polarizability; TDDFT