Hückel Method
by georglind3.0
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182
users
Published
July 3, 2014
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Description
Draw and model the pi-system of conjugated molecules at the Hückel level of theory. A Hückel model is a tight-binding model describing the electrons in the pz orbitals of conjugated molecules.
The Hückel method program calculates the molecular orbitals and makes it possible to simulate a molecular junction by calculating the transmission resolvents for your choice of connecting orbitals.
Requests for additional features are welcome.