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Title: Hyperpolarisability - molecular twist correlation in diaminodicyanoquinodimethanes
Authors: Gangopadhyay, Palas
Ravi, M
Radhakrishnan, T P
Issue Date: Mar-2000
Publisher: NISCAIR-CSIR, India
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.
Page(s): 106-113
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.39A(01-03) [January-March 2000]

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