Article ID Journal Published Year Pages File Type
5394536 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► The electronic structure of fullerenes derivatives has been discussed. ► The nonlinear optical properties of fullerenes derivatives have been analyzed. ► The [5, 6]-benzyne monoadduct is more stable than the [6, 6]-benzyne monoadduct. ► TTF derivatives have large second-order nonlinear optical properties. ► The nature of excited state has been described by using TDDFT calculations.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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