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|Title:||Hyperpolarisability - molecular twist correlation in diaminodicyanoquinodimethanes|
Radhakrishnan, T P
|Abstract:||Semi empirical quantum chemical calculations are carried out on the class of diaminodicyanoquinodimethanes. The calculated first hyperpolarisabilities of these molecules manifest a close correlation with the twist angle between the diaminomethylene unit and the aromatic ring. The correlation follows earlier model calculations on a prototypical molecule and can be qualitatively explained on the basis of the well -known two-level approximation.|
|Appears in Collections:||IJC-A Vol.39A(01-03) [January-March 2000]|
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