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• W2019430872 abstract "Abstract The β and γ values for hydroxyphenylazo, hydroxystilbene and Schiff bases molecules with various π-electron-acceptor substituents, NO 2 , CN, CF 3 are evaluated by different MOPAC programs (version 6) using the finite field procedure (FF). The theoretical values of β are compared to experimental results of EFISH measures. The best correlation is obtained by MNDO method if the twisting angles between phenyl rings are fixed with PM3 values of complete optimization." @default.
• W2019430872 created "2016-06-24" @default.
• W2019430872 creator A5071477035 @default.
• W2019430872 creator A5077426018 @default.
• W2019430872 date "1998-10-01" @default.
• W2019430872 modified "2023-10-01" @default.
• W2019430872 title "Nonlinear optical properties of push pull molecules grafted onto chloromethylstyrene. Hyperpolarizabilities of first- and second-order obtained by PM3, AM1 and MNDO methods. Correlation of EFISH measures on side-chain polymer with quantum chemistry results" @default.
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• W2019430872 doi "https://doi.org/10.1016/s0166-1280(98)00045-1" @default.
• W2019430872 hasPublicationYear "1998" @default.
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