Article ID Journal Published Year Pages File Type
5387707 Chemical Physics Letters 2008 7 Pages PDF
Abstract
A dipolar molecule and two series of fluorene derivatives with different peripheral substituted groups have been investigated. The ground state geometries and electronic structures are obtained using the B3LYP/6-31G(d) method. Based on the correct geometrical and electronic structures, the one- and two-photon absorption properties are predicted by the ZINDO-SOS method.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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