Article ID Journal Published Year Pages File Type
5374089 Chemical Physics 2013 11 Pages PDF
Abstract
► Properties of the most stable isomers of polymethineimine (PMI) are investigated. ► 2nd order NLO properties of experimentally known PMI derivatives are determined. ► Structure-property relationships are unraveled for several series of oligomers. ► Performance of long-range corrected DFT methods is assessed.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Tuning the NLO properties of polymethineimine chains by chemical substitution
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