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András Csehi, Gábor J. Halász and Ágnes Vibók Molecular switch properties of 7-hydroxyquinoline compounds International Journal of Quantum Chemistry 114

Version of Record online: 24 FEB 2014 | DOI: 10.1002/qua.24639

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7-Hydroxyquinoline derivatives are investigated as suitable molecular switches. To confirm the presence of conical intersections, nonadiabatic coupling terms must be derived and used in constructing the topological phase of the molecule. First-principle modeling can be also applied to understand the effect of various functional groups on the molecular switch properties of the core quinoline compound.

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