Article ID Journal Published Year Pages File Type
5401069 Journal of Luminescence 2012 6 Pages PDF
Abstract
► We used Density Functional Calculations to analyze 10 indolylfulgides. ► 5 functionals analyzed for the ground state and 4 analyzed for the excited state. ► TD-M06//M06 gave consistent results. ► Electron withdrawing groups lowered the energy of the open forms LUMO.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Analysis of indolylfulgide spectral properties using time dependent density functional theory
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