08 April 2020 0 9K Report

Theoretical modelling of pyrrole moiety showed higher dipole moment than conventional value. Will this decides the pyrrole molecule as good canditate for optoelectronic and anti corrosion applications.

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How can I compute the reorganization energy for a molecule?

I'm interested in analysing the electronic properties of old materials , can any one help me to calculate the reorganization energy.

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