Quantum mechanical calculations of different monomeric structures with the same electroactive group to clarify the relationship between structure and ultimate optical and electrochemical properties of their conjugated polymers
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DOI: 10.1016/j.jpcs.2020.109720
Abstract: Abstract Quantum mechanical calculations can clarify the relationship between structure and ultimate optical and electrochemical properties of conjugated polymers and produce a ground for the design of advanced materials for futuristic applications. Herein, we have… read more here.
Keywords: quantum mechanical; relationship; structure; conjugated polymers ... See more keywords