Article ID Journal Published Year Pages File Type
1231425 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2012 6 Pages PDF
Abstract
► The results show that the B3LYP function is more accurate in these simulations. ► The solvent polarity would affect the photophysics properties of this switch. ► The basis sets appear to have only a small influence on the TDDFT calculation.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
Authors
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